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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:36:53 UTC

Update Date

2022-03-07 02:52:33 UTC

HMDB ID

HMDB0030452

Secondary Accession Numbers

HMDB30452

Metabolite Identification

Common Name

Blasticidin S

Description

Contact fungicide used against rice blast disease in Japan Blasticidin S is an antibiotic used to select transformed cells in genetic engineering. In short, DNA of interest is fused to DNA encoding a resistance gene, and then is transformed into cells. After allowing time for recovery and for cells to begin transcribing and translating their new DNA, blasticidin is added. Now only the cells that have the new DNA can grow

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 03191307532D          

 30 31  0  0  0  0            999 V2000
   -1.4929   -4.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2073   -4.6946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2073   -5.5197    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4929   -5.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -5.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -4.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0639   -4.2821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4006   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -5.9321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -3.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -4.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650   -4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -3.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363   -5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3507   -5.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0652   -5.5196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6166   -4.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7797   -5.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4941   -5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0652   -4.6946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2086   -5.9321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9231   -5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6376   -5.9321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2086   -6.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9231   -4.6946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -3.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  1  0  0  0
  2  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  6  0  0  0
 13  7  1  0  0  0  0
  7 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 13 30  2  0  0  0  0
M  END

HMDB0030452
     RDKit          3D
Blasticidin S
 56 57  0  0  0  0  0  0  0  0999 V2000
   -4.4793    0.6636    1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3141   -0.0278    0.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4678    0.2851   -0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    0.1023   -1.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532    0.8299   -1.8998 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2731    2.2766   -1.9225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028    0.3631   -1.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    1.2970   -1.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196    2.3825   -1.8929 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416    0.9792   -0.8438 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022    0.6577   -0.3960 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8811    1.1738    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    0.5142    1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.6814    1.3983 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8445   -0.4143    1.3593 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -0.4223    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627   -0.2195    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5976    0.0062    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9842    0.1973    1.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273    0.0136    2.3740 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054   -0.1886    2.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976   -0.1761    3.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893   -1.2108    0.1797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008   -0.8682   -0.3761 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8494   -1.3377   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551   -1.1447   -2.5314 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766   -2.0248   -2.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0832   -1.1177    1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7012   -2.3334    0.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2681   -0.8186    1.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0925    1.0726    2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9249    1.5098    0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8005   -0.0722    1.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3718   -0.3462   -1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9503    1.3323   -1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8968    0.1464   -2.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1782   -1.0340   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    0.6847   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    2.5989   -2.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5866    2.6848   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    0.2286   -0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788   -0.6523   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    2.2165   -1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    1.1249   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510    2.0380    1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    0.8583    2.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -1.4901    2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8960   -0.6037   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977   -0.2490   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3558    0.8176    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6254   -0.2813    1.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -1.2959    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683   -1.5361   -2.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3324   -3.0850    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4695   -1.2247    2.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9485   -0.1756    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
  2 28  1  0
 28 29  2  3
 28 30  1  0
 24 11  1  0
 21 15  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  6
  6 39  1  0
  6 40  1  0
  7 41  1  0
  7 42  1  0
 10 43  1  0
 11 44  1  6
 12 45  1  0
 13 46  1  0
 14 47  1  1
 16 48  1  0
 17 49  1  0
 19 50  1  0
 19 51  1  0
 24 52  1  1
 27 53  1  0
 29 54  1  0
 30 55  1  0
 30 56  1  0
M  END


  Mrv0541 03191307532D          

 30 31  0  0  0  0            999 V2000
   -1.4929   -4.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2073   -4.6946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2073   -5.5197    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4929   -5.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -5.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -4.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0639   -4.2821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4006   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -3.4571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -5.9321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -3.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0639   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6505   -4.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650   -4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3650   -3.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -3.0446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363   -5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3507   -5.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0652   -5.5196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6166   -4.9623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7797   -5.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4941   -5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0652   -4.6946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2086   -5.9321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9231   -5.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6376   -5.9321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2086   -6.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9231   -4.6946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7784   -3.0446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  1  0  0  0
  2  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  6  0  0  0
 13  7  1  0  0  0  0
  7 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 13 30  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0030452

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14+/m1/s1

> <INCHI_KEY>
CXNPLSGKWMLZPZ-QOBDMFJFSA-N

> <FORMULA>
C17H26N8O5

> <MOLECULAR_WEIGHT>
422.4389

> <EXACT_MASS>
422.202615982

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
41.924907901297445

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,6R)-6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid

> <ALOGPS_LOGP>
-3.28

> <JCHEM_LOGP>
-4.7077000372996585

> <ALOGPS_LOGS>
-3.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.514982237856234

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3200903719571997

> <JCHEM_PKA_STRONGEST_BASIC>
12.185506153714696

> <JCHEM_POLAR_SURFACE_AREA>
213.45000000000002

> <JCHEM_REFRACTIVITY>
116.42339999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.19e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0030452
     RDKit          3D
Blasticidin S
 56 57  0  0  0  0  0  0  0  0999 V2000
   -4.4793    0.6636    1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3141   -0.0278    0.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4678    0.2851   -0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    0.1023   -1.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532    0.8299   -1.8998 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2731    2.2766   -1.9225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028    0.3631   -1.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    1.2970   -1.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196    2.3825   -1.8929 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416    0.9792   -0.8438 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022    0.6577   -0.3960 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8811    1.1738    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    0.5142    1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.6814    1.3983 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8445   -0.4143    1.3593 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -0.4223    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627   -0.2195    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5976    0.0062    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9842    0.1973    1.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273    0.0136    2.3740 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054   -0.1886    2.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976   -0.1761    3.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893   -1.2108    0.1797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008   -0.8682   -0.3761 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8494   -1.3377   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551   -1.1447   -2.5314 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766   -2.0248   -2.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0832   -1.1177    1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7012   -2.3334    0.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2681   -0.8186    1.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0925    1.0726    2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9249    1.5098    0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8005   -0.0722    1.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3718   -0.3462   -1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9503    1.3323   -1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8968    0.1464   -2.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1782   -1.0340   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    0.6847   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    2.5989   -2.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5866    2.6848   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    0.2286   -0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788   -0.6523   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    2.2165   -1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    1.1249   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510    2.0380    1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    0.8583    2.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -1.4901    2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8960   -0.6037   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977   -0.2490   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3558    0.8176    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6254   -0.2813    1.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -1.2959    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683   -1.5361   -2.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3324   -3.0850    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4695   -1.2247    2.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9485   -0.1756    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
  2 28  1  0
 28 29  2  3
 28 30  1  0
 24 11  1  0
 21 15  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  6
  6 39  1  0
  6 40  1  0
  7 41  1  0
  7 42  1  0
 10 43  1  0
 11 44  1  6
 12 45  1  0
 13 46  1  0
 14 47  1  1
 16 48  1  0
 17 49  1  0
 19 50  1  0
 19 51  1  0
 24 52  1  1
 27 53  1  0
 29 54  1  0
 30 55  1  0
 30 56  1  0
M  END

HEADER    PROTEIN                                 19-MAR-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-MAR-13         0                                  
HETATM    1  O   UNK     0      -2.787  -7.993   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -4.120  -8.763   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.120 -10.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.787 -11.073   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.453 -10.303   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.453  -8.763   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      -0.119  -7.993   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -5.454  -7.993   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -6.348  -8.470   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -5.454  -6.453   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      -5.454 -11.073   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       1.214  -5.683   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -0.119  -6.453   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.214  -8.763   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.548  -7.993   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.548  -6.453   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       3.882  -5.683   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -6.788 -10.303   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -8.121 -11.073   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.455 -10.303   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -6.751  -9.263   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -10.789 -11.073   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -12.122 -10.303   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      -9.455  -8.763   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0     -13.456 -11.073   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0     -14.790 -10.303   0.000  0.00  0.00           C+0
HETATM   27  N   UNK     0     -16.124 -11.073   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0     -13.456 -12.613   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0     -14.790  -8.763   0.000  0.00  0.00           N+0
HETATM   30  O   UNK     0      -1.453  -5.683   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3    8                                                  
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6   13   14                                                  
CONECT    8    2    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    3   18                                                       
CONECT   12   13   16                                                       
CONECT   13    7   12   30                                                  
CONECT   14    7   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   12   17                                                  
CONECT   17   16                                                            
CONECT   18   11   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19   22   24                                                  
CONECT   21   18                                                            
CONECT   22   20   23                                                       
CONECT   23   22   25                                                       
CONECT   24   20                                                            
CONECT   25   23   26   28                                                  
CONECT   26   25   27   29                                                  
CONECT   27   26                                                            
CONECT   28   25                                                            
CONECT   29   26                                                            
CONECT   30   13                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   62    0
END

COMPND    HMDB0030452
HETATM    1  C1  UNL     1      -4.479   0.664   1.392  1.00  0.00           C  
HETATM    2  N1  UNL     1      -5.314  -0.028   0.456  1.00  0.00           N  
HETATM    3  C2  UNL     1      -5.468   0.285  -0.907  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.418   0.102  -1.914  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.153   0.830  -1.900  1.00  0.00           C  
HETATM    6  N2  UNL     1      -3.273   2.277  -1.922  1.00  0.00           N  
HETATM    7  C5  UNL     1      -2.003   0.363  -1.115  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.803   1.297  -1.286  1.00  0.00           C  
HETATM    9  O1  UNL     1      -1.120   2.383  -1.893  1.00  0.00           O  
HETATM   10  N3  UNL     1       0.442   0.979  -0.844  1.00  0.00           N  
HETATM   11  C7  UNL     1       1.702   0.658  -0.396  1.00  0.00           C  
HETATM   12  C8  UNL     1       1.881   1.174   1.018  1.00  0.00           C  
HETATM   13  C9  UNL     1       2.695   0.514   1.822  1.00  0.00           C  
HETATM   14  C10 UNL     1       3.416  -0.681   1.398  1.00  0.00           C  
HETATM   15  N4  UNL     1       4.845  -0.414   1.359  1.00  0.00           N  
HETATM   16  C11 UNL     1       5.512  -0.422   0.164  1.00  0.00           C  
HETATM   17  C12 UNL     1       6.863  -0.220   0.060  1.00  0.00           C  
HETATM   18  C13 UNL     1       7.598   0.006   1.202  1.00  0.00           C  
HETATM   19  N5  UNL     1       8.984   0.197   1.086  1.00  0.00           N  
HETATM   20  N6  UNL     1       6.927   0.014   2.374  1.00  0.00           N  
HETATM   21  C14 UNL     1       5.605  -0.189   2.444  1.00  0.00           C  
HETATM   22  O2  UNL     1       4.998  -0.176   3.556  1.00  0.00           O  
HETATM   23  O3  UNL     1       3.089  -1.211   0.180  1.00  0.00           O  
HETATM   24  C15 UNL     1       1.901  -0.868  -0.376  1.00  0.00           C  
HETATM   25  C16 UNL     1       1.849  -1.338  -1.784  1.00  0.00           C  
HETATM   26  O4  UNL     1       0.855  -1.145  -2.531  1.00  0.00           O  
HETATM   27  O5  UNL     1       2.977  -2.025  -2.281  1.00  0.00           O  
HETATM   28  C17 UNL     1      -6.083  -1.118   1.012  1.00  0.00           C  
HETATM   29  N7  UNL     1      -5.701  -2.333   0.861  1.00  0.00           N  
HETATM   30  N8  UNL     1      -7.268  -0.819   1.707  1.00  0.00           N  
HETATM   31  H1  UNL     1      -5.093   1.073   2.243  1.00  0.00           H  
HETATM   32  H2  UNL     1      -3.925   1.510   0.999  1.00  0.00           H  
HETATM   33  H3  UNL     1      -3.800  -0.072   1.883  1.00  0.00           H  
HETATM   34  H4  UNL     1      -6.372  -0.346  -1.271  1.00  0.00           H  
HETATM   35  H5  UNL     1      -5.950   1.332  -1.013  1.00  0.00           H  
HETATM   36  H6  UNL     1      -4.897   0.146  -2.971  1.00  0.00           H  
HETATM   37  H7  UNL     1      -4.178  -1.034  -1.893  1.00  0.00           H  
HETATM   38  H8  UNL     1      -2.766   0.685  -3.048  1.00  0.00           H  
HETATM   39  H9  UNL     1      -3.860   2.599  -2.729  1.00  0.00           H  
HETATM   40  H10 UNL     1      -3.587   2.685  -1.016  1.00  0.00           H  
HETATM   41  H11 UNL     1      -2.205   0.229  -0.049  1.00  0.00           H  
HETATM   42  H12 UNL     1      -1.679  -0.652  -1.481  1.00  0.00           H  
HETATM   43  H13 UNL     1       0.940   2.216  -1.216  1.00  0.00           H  
HETATM   44  H14 UNL     1       2.584   1.125  -0.927  1.00  0.00           H  
HETATM   45  H15 UNL     1       1.351   2.038   1.319  1.00  0.00           H  
HETATM   46  H16 UNL     1       2.858   0.858   2.860  1.00  0.00           H  
HETATM   47  H17 UNL     1       3.271  -1.490   2.214  1.00  0.00           H  
HETATM   48  H18 UNL     1       4.896  -0.604  -0.707  1.00  0.00           H  
HETATM   49  H19 UNL     1       7.298  -0.249  -0.927  1.00  0.00           H  
HETATM   50  H20 UNL     1       9.356   0.818   0.343  1.00  0.00           H  
HETATM   51  H21 UNL     1       9.625  -0.281   1.742  1.00  0.00           H  
HETATM   52  H22 UNL     1       1.058  -1.296   0.199  1.00  0.00           H  
HETATM   53  H23 UNL     1       3.768  -1.536  -2.696  1.00  0.00           H  
HETATM   54  H24 UNL     1      -6.332  -3.085   1.301  1.00  0.00           H  
HETATM   55  H25 UNL     1      -7.470  -1.225   2.643  1.00  0.00           H  
HETATM   56  H26 UNL     1      -7.948  -0.176   1.257  1.00  0.00           H  
CONECT    1    2   31   32   33
CONECT    2    3   28
CONECT    3    4   34   35
CONECT    4    5   36   37
CONECT    5    6    7   38
CONECT    6   39   40
CONECT    7    8   41   42
CONECT    8    9    9   10
CONECT   10   11   43
CONECT   11   12   24   44
CONECT   12   13   13   45
CONECT   13   14   46
CONECT   14   15   23   47
CONECT   15   16   21
CONECT   16   17   17   48
CONECT   17   18   49
CONECT   18   19   20   20
CONECT   19   50   51
CONECT   20   21
CONECT   21   22   22
CONECT   23   24
CONECT   24   25   52
CONECT   25   26   26   27
CONECT   27   53
CONECT   28   29   29   30
CONECT   29   54
CONECT   30   55   56
END

HMDB0030452
     RDKit          3D
Blasticidin S
 56 57  0  0  0  0  0  0  0  0999 V2000
   -4.4793    0.6636    1.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3141   -0.0278    0.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4678    0.2851   -0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    0.1023   -1.9144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1532    0.8299   -1.8998 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.2731    2.2766   -1.9225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0028    0.3631   -1.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    1.2970   -1.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1196    2.3825   -1.8929 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4416    0.9792   -0.8438 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7022    0.6577   -0.3960 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8811    1.1738    1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    0.5142    1.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4164   -0.6814    1.3983 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8445   -0.4143    1.3593 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125   -0.4223    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8627   -0.2195    0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5976    0.0062    1.2020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9842    0.1973    1.0861 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9273    0.0136    2.3740 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054   -0.1886    2.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9976   -0.1761    3.5560 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893   -1.2108    0.1797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008   -0.8682   -0.3761 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8494   -1.3377   -1.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8551   -1.1447   -2.5314 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9766   -2.0248   -2.2809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0832   -1.1177    1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7012   -2.3334    0.8611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2681   -0.8186    1.7068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0925    1.0726    2.2433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9249    1.5098    0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8005   -0.0722    1.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3718   -0.3462   -1.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9503    1.3323   -1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8968    0.1464   -2.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1782   -1.0340   -1.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7657    0.6847   -3.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8597    2.5989   -2.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5866    2.6848   -1.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    0.2286   -0.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6788   -0.6523   -1.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9399    2.2165   -1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    1.1249   -0.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3510    2.0380    1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8577    0.8583    2.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -1.4901    2.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8960   -0.6037   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2977   -0.2490   -0.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3558    0.8176    0.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6254   -0.2813    1.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0579   -1.2959    0.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683   -1.5361   -2.6963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3324   -3.0850    1.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4695   -1.2247    2.6426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9485   -0.1756    1.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
  2 28  1  0
 28 29  2  3
 28 30  1  0
 24 11  1  0
 21 15  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  6
  6 39  1  0
  6 40  1  0
  7 41  1  0
  7 42  1  0
 10 43  1  0
 11 44  1  6
 12 45  1  0
 13 46  1  0
 14 47  1  1
 16 48  1  0
 17 49  1  0
 19 50  1  0
 19 51  1  0
 24 52  1  1
 27 53  1  0
 29 54  1  0
 30 55  1  0
 30 56  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
a 83094C	HMDB
Antibiotic 21544	HMDB
Antibiotic a 83094C	HMDB
Bla-S	HMDB
Cytovirin	HMDB
NSC 91770	HMDB
Blasticidin S, methyl sulfate, (S)-isomer	HMDB
Blasticidin S, dodecyl sulfate, (S)-isomer	HMDB
Blasticidin S, monohydrochloride, (S)-isomer	HMDB
Blasticidin S, carbamodithioate, (S)-isomer	HMDB
Blasticidin S, hydrochloride, (S)-isomer	HMDB
(2S,3S,6R)-3-{[(3R)-3-amino-1-hydroxy-5-(N-methylcarbamimidamido)pentylidene]amino}-6-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylate	HMDB
Blasticidin S	MeSH

Chemical Formula

C₁₇H₂₆N₈O₅

Average Molecular Weight

422.4389

Monoisotopic Molecular Weight

422.202615982

IUPAC Name

(2S,3S,6R)-6-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid

Traditional Name

(2S,3S,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-3-[(3R)-3-amino-5-(1-methylcarbamimidamido)pentanamido]-3,6-dihydro-2H-pyran-2-carboxylic acid

CAS Registry Number

2079-00-7

SMILES

CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N

InChI Identifier

InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14+/m1/s1

InChI Key

CXNPLSGKWMLZPZ-QOBDMFJFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Substituents

Beta amino acid or derivatives
Aminopyrimidine
Pyrimidone
Fatty amide
Hydropyrimidine
N-acyl-amine
Pyran
Pyrimidine
Fatty acyl
Imidolactam
Heteroaromatic compound
Carboxamide group
Guanidine
Amino acid
Secondary carboxylic acid amide
Oxacycle
Organoheterocyclic compound
Carboximidamide
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Primary aliphatic amine
Imine
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Organonitrogen compound
Amine
Carbonyl group
Organooxygen compound
Organic oxygen compound
Primary amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0030452)
Cytoplasm (HMDB: HMDB0030452)

Source

Endogenous

Endogenous (HMDB: HMDB0030452)

Exogenous

Food

Food (HMDB: HMDB0030452)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	235 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.22 g/L	ALOGPS
logP	-3.3	ALOGPS
logP	-4.7	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	3.32	ChemAxon
pKa (Strongest Basic)	12.19	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	213.45 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	116.42 m³·mol⁻¹	ChemAxon
Polarizability	41.92 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	195.136	31661259
DarkChem	[M-H]-	189.31	31661259
DeepCCS	[M+H]+	206.311	30932474
DeepCCS	[M-H]-	203.915	30932474
DeepCCS	[M-2H]-	237.207	30932474
DeepCCS	[M+Na]+	212.224	30932474
AllCCS	[M+H]+	196.2	32859911
AllCCS	[M+H-H2O]+	194.1	32859911
AllCCS	[M+NH4]+	198.1	32859911
AllCCS	[M+Na]+	198.7	32859911
AllCCS	[M-H]-	196.0	32859911
AllCCS	[M+Na-2H]-	196.7	32859911
AllCCS	[M+HCOO]-	197.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Blasticidin S	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N	4520.5	Standard polar	33892256
Blasticidin S	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N	3556.8	Standard non polar	33892256
Blasticidin S	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(O)=O)N1C=CC(N)=NC1=O)C(N)=N	4542.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Blasticidin S,1TMS,isomer #1	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N	3972.5	Semi standard non polar	33892256
Blasticidin S,1TMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N	4138.2	Semi standard non polar	33892256
Blasticidin S,1TMS,isomer #3	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N	4141.7	Semi standard non polar	33892256
Blasticidin S,1TMS,isomer #4	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C	4130.1	Semi standard non polar	33892256
Blasticidin S,1TMS,isomer #5	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N	3920.6	Semi standard non polar	33892256
Blasticidin S,1TMS,isomer #6	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C	3970.9	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3967.3	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3622.9	Standard non polar	33892256
Blasticidin S,2TMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3980.4	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3777.6	Standard non polar	33892256
Blasticidin S,2TMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C	4166.6	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C	3828.9	Standard non polar	33892256
Blasticidin S,2TMS,isomer #12	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N	3962.1	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #12	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N	3611.1	Standard non polar	33892256
Blasticidin S,2TMS,isomer #13	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N	3981.7	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #13	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N	3711.4	Standard non polar	33892256
Blasticidin S,2TMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C	4012.7	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C	3799.6	Standard non polar	33892256
Blasticidin S,2TMS,isomer #15	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3962.9	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #15	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3685.8	Standard non polar	33892256
Blasticidin S,2TMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	3979.2	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	3733.4	Standard non polar	33892256
Blasticidin S,2TMS,isomer #17	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4029.1	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #17	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3903.2	Standard non polar	33892256
Blasticidin S,2TMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3792.3	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3659.3	Standard non polar	33892256
Blasticidin S,2TMS,isomer #2	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N	3993.5	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #2	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N	3617.2	Standard non polar	33892256
Blasticidin S,2TMS,isomer #3	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	4004.9	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #3	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	3694.7	Standard non polar	33892256
Blasticidin S,2TMS,isomer #4	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3815.4	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #4	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3498.6	Standard non polar	33892256
Blasticidin S,2TMS,isomer #5	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3852.3	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #5	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3663.9	Standard non polar	33892256
Blasticidin S,2TMS,isomer #6	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N	4150.9	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #6	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N	3723.1	Standard non polar	33892256
Blasticidin S,2TMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4142.2	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3819.3	Standard non polar	33892256
Blasticidin S,2TMS,isomer #8	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3904.5	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #8	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3613.5	Standard non polar	33892256
Blasticidin S,2TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4113.5	Semi standard non polar	33892256
Blasticidin S,2TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3733.4	Standard non polar	33892256
Blasticidin S,3TMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	4034.5	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3650.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #10	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3895.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #10	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3624.2	Standard non polar	33892256
Blasticidin S,3TMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3886.9	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3633.3	Standard non polar	33892256
Blasticidin S,3TMS,isomer #12	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3929.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #12	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3833.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3740.8	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3568.8	Standard non polar	33892256
Blasticidin S,3TMS,isomer #14	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4200.7	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #14	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3842.6	Standard non polar	33892256
Blasticidin S,3TMS,isomer #15	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3978.3	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #15	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3632.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #16	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N	4036.5	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #16	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N	3729.7	Standard non polar	33892256
Blasticidin S,3TMS,isomer #17	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4197.0	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #17	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3763.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #18	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	4049.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #18	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3782.9	Standard non polar	33892256
Blasticidin S,3TMS,isomer #19	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3962.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #19	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3727.0	Standard non polar	33892256
Blasticidin S,3TMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4018.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3740.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #20	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4175.0	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #20	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3858.6	Standard non polar	33892256
Blasticidin S,3TMS,isomer #21	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3998.5	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #21	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3732.5	Standard non polar	33892256
Blasticidin S,3TMS,isomer #22	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4045.7	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #22	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3945.3	Standard non polar	33892256
Blasticidin S,3TMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3979.4	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3674.7	Standard non polar	33892256
Blasticidin S,3TMS,isomer #24	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3817.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #24	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3668.3	Standard non polar	33892256
Blasticidin S,3TMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	4013.7	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3802.4	Standard non polar	33892256
Blasticidin S,3TMS,isomer #26	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4037.3	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #26	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3730.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #27	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C	4062.2	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #27	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C	3839.4	Standard non polar	33892256
Blasticidin S,3TMS,isomer #28	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	4043.4	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #28	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	3761.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #29	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4117.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #29	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3960.4	Standard non polar	33892256
Blasticidin S,3TMS,isomer #3	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3822.8	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #3	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3540.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #30	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N	3866.3	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #30	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N	3641.9	Standard non polar	33892256
Blasticidin S,3TMS,isomer #31	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3893.1	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #31	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3676.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #32	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C	3905.0	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #32	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C	3770.6	Standard non polar	33892256
Blasticidin S,3TMS,isomer #33	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3843.4	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #33	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3632.2	Standard non polar	33892256
Blasticidin S,3TMS,isomer #34	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3891.5	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #34	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3817.7	Standard non polar	33892256
Blasticidin S,3TMS,isomer #35	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3916.7	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #35	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3757.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3995.4	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3688.0	Standard non polar	33892256
Blasticidin S,3TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3852.7	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3680.4	Standard non polar	33892256
Blasticidin S,3TMS,isomer #6	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	4071.0	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #6	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	3741.9	Standard non polar	33892256
Blasticidin S,3TMS,isomer #7	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3895.7	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #7	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3538.5	Standard non polar	33892256
Blasticidin S,3TMS,isomer #8	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N	3897.3	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #8	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N	3650.1	Standard non polar	33892256
Blasticidin S,3TMS,isomer #9	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3920.6	Semi standard non polar	33892256
Blasticidin S,3TMS,isomer #9	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3684.8	Standard non polar	33892256
Blasticidin S,4TMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4114.1	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3781.8	Standard non polar	33892256
Blasticidin S,4TMS,isomer #10	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3912.4	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #10	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3625.6	Standard non polar	33892256
Blasticidin S,4TMS,isomer #11	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3745.1	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #11	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3596.5	Standard non polar	33892256
Blasticidin S,4TMS,isomer #12	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3895.9	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #12	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3728.2	Standard non polar	33892256
Blasticidin S,4TMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3988.6	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3670.8	Standard non polar	33892256
Blasticidin S,4TMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	4004.4	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C	3768.9	Standard non polar	33892256
Blasticidin S,4TMS,isomer #15	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3964.2	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #15	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3666.6	Standard non polar	33892256
Blasticidin S,4TMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4023.5	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3881.9	Standard non polar	33892256
Blasticidin S,4TMS,isomer #17	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3822.6	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #17	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N	3565.9	Standard non polar	33892256
Blasticidin S,4TMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3846.1	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3600.2	Standard non polar	33892256
Blasticidin S,4TMS,isomer #19	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3833.8	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #19	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C	3689.6	Standard non polar	33892256
Blasticidin S,4TMS,isomer #2	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3933.6	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #2	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3583.4	Standard non polar	33892256
Blasticidin S,4TMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3779.0	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3554.8	Standard non polar	33892256
Blasticidin S,4TMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3831.4	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3758.5	Standard non polar	33892256
Blasticidin S,4TMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3843.9	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3690.9	Standard non polar	33892256
Blasticidin S,4TMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4054.9	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3756.3	Standard non polar	33892256
Blasticidin S,4TMS,isomer #24	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4114.8	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #24	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3844.4	Standard non polar	33892256
Blasticidin S,4TMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4259.8	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3885.2	Standard non polar	33892256
Blasticidin S,4TMS,isomer #26	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	4089.1	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #26	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3751.6	Standard non polar	33892256
Blasticidin S,4TMS,isomer #27	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4143.4	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #27	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3975.9	Standard non polar	33892256
Blasticidin S,4TMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3893.5	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3653.2	Standard non polar	33892256
Blasticidin S,4TMS,isomer #29	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4077.9	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #29	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3704.0	Standard non polar	33892256
Blasticidin S,4TMS,isomer #3	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3928.2	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #3	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3666.1	Standard non polar	33892256
Blasticidin S,4TMS,isomer #30	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3912.9	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #30	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3685.0	Standard non polar	33892256
Blasticidin S,4TMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4123.0	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3785.9	Standard non polar	33892256
Blasticidin S,4TMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3945.3	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3763.1	Standard non polar	33892256
Blasticidin S,4TMS,isomer #33	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	4105.5	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #33	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3802.6	Standard non polar	33892256
Blasticidin S,4TMS,isomer #34	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4039.3	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #34	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3801.5	Standard non polar	33892256
Blasticidin S,4TMS,isomer #35	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3841.1	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #35	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3645.8	Standard non polar	33892256
Blasticidin S,4TMS,isomer #36	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3892.5	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #36	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3855.5	Standard non polar	33892256
Blasticidin S,4TMS,isomer #37	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	4052.0	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #37	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3761.1	Standard non polar	33892256
Blasticidin S,4TMS,isomer #38	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4115.4	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #38	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4001.5	Standard non polar	33892256
Blasticidin S,4TMS,isomer #39	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3932.9	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #39	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3774.7	Standard non polar	33892256
Blasticidin S,4TMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4093.2	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3715.6	Standard non polar	33892256
Blasticidin S,4TMS,isomer #40	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3897.8	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #40	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3722.2	Standard non polar	33892256
Blasticidin S,4TMS,isomer #41	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3950.5	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #41	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3753.1	Standard non polar	33892256
Blasticidin S,4TMS,isomer #42	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3931.8	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #42	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3655.8	Standard non polar	33892256
Blasticidin S,4TMS,isomer #43	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4007.5	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #43	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3858.8	Standard non polar	33892256
Blasticidin S,4TMS,isomer #44	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	3949.2	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #44	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C	3742.1	Standard non polar	33892256
Blasticidin S,4TMS,isomer #45	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4060.6	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #45	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3977.5	Standard non polar	33892256
Blasticidin S,4TMS,isomer #46	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4028.6	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #46	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3787.7	Standard non polar	33892256
Blasticidin S,4TMS,isomer #47	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3809.7	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #47	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3683.7	Standard non polar	33892256
Blasticidin S,4TMS,isomer #48	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3803.1	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #48	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3688.3	Standard non polar	33892256
Blasticidin S,4TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3948.8	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3703.4	Standard non polar	33892256
Blasticidin S,4TMS,isomer #6	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3899.8	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #6	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3675.2	Standard non polar	33892256
Blasticidin S,4TMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4063.7	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3815.1	Standard non polar	33892256
Blasticidin S,4TMS,isomer #8	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3890.2	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #8	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3652.5	Standard non polar	33892256
Blasticidin S,4TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3927.3	Semi standard non polar	33892256
Blasticidin S,4TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3880.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #1	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4022.3	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #1	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3721.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3855.8	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3697.5	Standard non polar	33892256
Blasticidin S,5TMS,isomer #11	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	4023.8	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #11	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3748.4	Standard non polar	33892256
Blasticidin S,5TMS,isomer #12	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3979.1	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #12	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3761.8	Standard non polar	33892256
Blasticidin S,5TMS,isomer #13	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3782.3	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #13	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3586.4	Standard non polar	33892256
Blasticidin S,5TMS,isomer #14	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3834.4	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #14	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3798.0	Standard non polar	33892256
Blasticidin S,5TMS,isomer #15	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3945.0	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #15	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3697.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #16	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4021.4	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #16	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3948.2	Standard non polar	33892256
Blasticidin S,5TMS,isomer #17	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3861.1	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #17	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3717.9	Standard non polar	33892256
Blasticidin S,5TMS,isomer #18	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3847.0	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #18	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3667.1	Standard non polar	33892256
Blasticidin S,5TMS,isomer #19	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3913.8	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #19	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3686.1	Standard non polar	33892256
Blasticidin S,5TMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	4043.2	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3783.1	Standard non polar	33892256
Blasticidin S,5TMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3880.1	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3593.0	Standard non polar	33892256
Blasticidin S,5TMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3951.5	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3792.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3883.2	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3663.0	Standard non polar	33892256
Blasticidin S,5TMS,isomer #23	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3984.9	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #23	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3896.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #24	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3973.3	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #24	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3721.5	Standard non polar	33892256
Blasticidin S,5TMS,isomer #25	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3775.3	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #25	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3618.8	Standard non polar	33892256
Blasticidin S,5TMS,isomer #26	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3759.0	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #26	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3633.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #27	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3978.6	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #27	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3767.5	Standard non polar	33892256
Blasticidin S,5TMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4154.7	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3831.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #29	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3953.6	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #29	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3679.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #3	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4169.6	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #3	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3846.7	Standard non polar	33892256
Blasticidin S,5TMS,isomer #30	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4017.3	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #30	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3877.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4211.6	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3893.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3988.8	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3746.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #33	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4078.0	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #33	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3976.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #34	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	4147.7	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #34	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3783.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #35	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4226.9	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #35	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4023.8	Standard non polar	33892256
Blasticidin S,5TMS,isomer #36	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4076.8	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #36	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3808.5	Standard non polar	33892256
Blasticidin S,5TMS,isomer #37	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4053.4	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #37	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3733.4	Standard non polar	33892256
Blasticidin S,5TMS,isomer #38	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3841.2	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #38	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3692.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #39	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	4014.2	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #39	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3743.2	Standard non polar	33892256
Blasticidin S,5TMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	4004.1	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3689.5	Standard non polar	33892256
Blasticidin S,5TMS,isomer #40	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	4058.2	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #40	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3803.9	Standard non polar	33892256
Blasticidin S,5TMS,isomer #41	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3941.7	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #41	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3701.0	Standard non polar	33892256
Blasticidin S,5TMS,isomer #42	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4018.7	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #42	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3929.9	Standard non polar	33892256
Blasticidin S,5TMS,isomer #43	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3828.8	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #43	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3716.4	Standard non polar	33892256
Blasticidin S,5TMS,isomer #44	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4027.1	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #44	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3818.7	Standard non polar	33892256
Blasticidin S,5TMS,isomer #45	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3865.9	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #45	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3659.9	Standard non polar	33892256
Blasticidin S,5TMS,isomer #46	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3961.3	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #46	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3873.2	Standard non polar	33892256
Blasticidin S,5TMS,isomer #47	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3944.8	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #47	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3717.3	Standard non polar	33892256
Blasticidin S,5TMS,isomer #48	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3977.1	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #48	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3792.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4044.4	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3908.6	Standard non polar	33892256
Blasticidin S,5TMS,isomer #6	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3858.9	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #6	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N	3600.2	Standard non polar	33892256
Blasticidin S,5TMS,isomer #7	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4043.2	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #7	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3675.9	Standard non polar	33892256
Blasticidin S,5TMS,isomer #8	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3873.6	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #8	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3636.8	Standard non polar	33892256
Blasticidin S,5TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4067.7	Semi standard non polar	33892256
Blasticidin S,5TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3734.1	Standard non polar	33892256
Blasticidin S,6TMS,isomer #1	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3953.9	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #1	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N[Si](C)(C)C	3725.0	Standard non polar	33892256
Blasticidin S,6TMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4026.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3762.9	Standard non polar	33892256
Blasticidin S,6TMS,isomer #11	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	4017.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #11	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N	3683.7	Standard non polar	33892256
Blasticidin S,6TMS,isomer #12	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3817.6	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #12	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(N)=N[Si](C)(C)C	3644.4	Standard non polar	33892256
Blasticidin S,6TMS,isomer #13	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3988.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #13	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3710.3	Standard non polar	33892256
Blasticidin S,6TMS,isomer #14	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	4014.1	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #14	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3757.6	Standard non polar	33892256
Blasticidin S,6TMS,isomer #15	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3886.8	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #15	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3650.9	Standard non polar	33892256
Blasticidin S,6TMS,isomer #16	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3967.2	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #16	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3883.5	Standard non polar	33892256
Blasticidin S,6TMS,isomer #17	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3799.4	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #17	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3669.9	Standard non polar	33892256
Blasticidin S,6TMS,isomer #18	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3975.1	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #18	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3776.4	Standard non polar	33892256
Blasticidin S,6TMS,isomer #19	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3818.8	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #19	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3598.8	Standard non polar	33892256
Blasticidin S,6TMS,isomer #2	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4114.6	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #2	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3807.9	Standard non polar	33892256
Blasticidin S,6TMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3928.0	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3804.0	Standard non polar	33892256
Blasticidin S,6TMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3918.2	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3674.1	Standard non polar	33892256
Blasticidin S,6TMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3933.3	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3727.8	Standard non polar	33892256
Blasticidin S,6TMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4126.2	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3847.6	Standard non polar	33892256
Blasticidin S,6TMS,isomer #24	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3896.9	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #24	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3687.2	Standard non polar	33892256
Blasticidin S,6TMS,isomer #25	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3989.6	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #25	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3892.7	Standard non polar	33892256
Blasticidin S,6TMS,isomer #26	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	4070.6	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #26	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3743.3	Standard non polar	33892256
Blasticidin S,6TMS,isomer #27	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4156.9	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #27	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3956.2	Standard non polar	33892256
Blasticidin S,6TMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3993.0	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3763.2	Standard non polar	33892256
Blasticidin S,6TMS,isomer #29	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	4110.0	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #29	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3790.3	Standard non polar	33892256
Blasticidin S,6TMS,isomer #3	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3915.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #3	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3633.2	Standard non polar	33892256
Blasticidin S,6TMS,isomer #30	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4238.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #30	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4031.3	Standard non polar	33892256
Blasticidin S,6TMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4035.8	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3816.6	Standard non polar	33892256
Blasticidin S,6TMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4189.6	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3858.0	Standard non polar	33892256
Blasticidin S,6TMS,isomer #33	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	4004.2	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #33	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(N)=N[Si](C)(C)C	3767.8	Standard non polar	33892256
Blasticidin S,6TMS,isomer #34	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3961.9	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #34	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3786.0	Standard non polar	33892256
Blasticidin S,6TMS,isomer #35	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3913.8	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #35	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3738.8	Standard non polar	33892256
Blasticidin S,6TMS,isomer #4	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3982.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #4	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3842.2	Standard non polar	33892256
Blasticidin S,6TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	4159.9	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N[Si](C)(C)C	3846.9	Standard non polar	33892256
Blasticidin S,6TMS,isomer #6	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3919.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #6	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3680.0	Standard non polar	33892256
Blasticidin S,6TMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4012.7	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3909.1	Standard non polar	33892256
Blasticidin S,6TMS,isomer #8	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	4081.4	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #8	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C	3737.3	Standard non polar	33892256
Blasticidin S,6TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4166.0	Semi standard non polar	33892256
Blasticidin S,6TMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3975.7	Standard non polar	33892256
Blasticidin S,1TBDMS,isomer #1	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	4255.7	Semi standard non polar	33892256
Blasticidin S,1TBDMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N	4380.7	Semi standard non polar	33892256
Blasticidin S,1TBDMS,isomer #3	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N	4384.6	Semi standard non polar	33892256
Blasticidin S,1TBDMS,isomer #4	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	4384.1	Semi standard non polar	33892256
Blasticidin S,1TBDMS,isomer #5	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N	4151.6	Semi standard non polar	33892256
Blasticidin S,1TBDMS,isomer #6	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	4259.7	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4461.2	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4024.2	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4469.1	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #10	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4096.0	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	4616.3	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	4175.7	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #12	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N	4401.5	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #12	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N	3982.4	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #13	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N	4428.7	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #13	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N	4068.7	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	4480.7	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	4110.9	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #15	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4370.5	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #15	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4034.2	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4428.9	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4033.3	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #17	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4471.6	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #17	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4202.0	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4243.2	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	3975.7	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #2	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	4474.3	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #2	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	4019.4	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #3	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4476.8	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #3	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4067.3	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #4	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4266.7	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #4	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	3888.7	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #5	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4335.6	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #5	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4002.4	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #6	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N	4611.5	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #6	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N	4103.0	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4610.6	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4167.3	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #8	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4362.6	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #8	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	3974.2	Standard non polar	33892256
Blasticidin S,2TBDMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4559.7	Semi standard non polar	33892256
Blasticidin S,2TBDMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4085.5	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4706.0	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4220.3	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #10	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4495.8	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #10	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4147.4	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4476.4	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #11	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4105.3	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #12	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4550.1	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #12	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4336.0	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4359.0	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4060.3	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #14	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4850.7	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #14	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4358.7	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #15	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4636.6	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #15	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4166.4	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #16	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N	4673.6	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #16	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N	4269.4	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #17	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4843.2	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #17	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4295.2	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #18	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4713.8	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #18	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4266.1	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #19	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4579.2	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #19	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4230.7	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4676.3	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #2	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4277.7	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #20	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4786.5	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #20	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4360.6	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #21	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4633.7	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #21	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4180.4	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #22	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4687.1	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #22	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4422.7	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4591.3	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4183.4	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #24	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4436.5	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #24	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4134.9	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4654.5	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4268.0	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #26	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4641.0	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #26	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4238.5	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #27	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	4676.2	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #27	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N[Si](C)(C)C(C)(C)C	4345.0	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #28	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4658.5	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #28	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4204.5	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #29	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4742.3	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #29	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4428.5	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #3	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4461.5	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #3	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4081.6	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #30	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N	4472.3	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #30	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N	4165.6	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #31	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4501.4	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #31	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4155.4	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #32	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	4548.5	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #32	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(N)=N[Si](C)(C)C(C)(C)C	4270.2	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #33	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4411.5	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #33	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4076.0	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #34	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4479.6	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #34	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4294.6	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #35	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4546.8	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #35	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4236.5	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4641.4	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4228.8	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4515.3	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4178.0	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #6	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4700.1	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #6	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4283.2	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #7	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4519.3	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #7	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4089.9	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #8	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	4510.0	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #8	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N	4204.7	Standard non polar	33892256
Blasticidin S,3TBDMS,isomer #9	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4563.1	Semi standard non polar	33892256
Blasticidin S,3TBDMS,isomer #9	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4192.3	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4915.9	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #1	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4457.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #10	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4694.3	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #10	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4283.7	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #11	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4522.4	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #11	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4211.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #12	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4728.0	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #12	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4349.5	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4749.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #13	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4325.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4768.0	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #14	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4446.2	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #15	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4720.7	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #15	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4273.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4816.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #16	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4523.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #17	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4587.8	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #17	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4262.5	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4604.2	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #18	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4224.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #19	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4628.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #19	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4346.7	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #2	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4714.5	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #2	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4266.4	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4508.2	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #20	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4142.5	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4589.5	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #21	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4383.9	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4615.0	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #22	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4316.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4838.3	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #23	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4405.3	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #24	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4911.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #24	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4513.1	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	5060.6	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #25	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4534.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #26	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4876.3	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #26	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4348.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #27	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4964.6	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #27	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4601.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4693.3	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #28	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4336.4	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #29	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4861.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #29	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4362.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #3	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4742.5	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #3	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N	4379.9	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #30	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4702.2	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #30	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4298.5	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4930.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #31	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4454.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4771.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #32	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4409.4	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #33	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4932.3	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #33	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4427.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #34	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4789.2	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #34	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4413.2	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #35	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4602.7	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #35	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4213.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #36	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4681.5	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #36	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4459.3	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #37	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4831.0	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #37	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4338.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #38	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4914.6	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #38	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4598.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #39	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4765.0	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #39	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4377.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4921.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #4	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N	4405.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #40	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4681.7	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #40	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4308.5	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #41	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4714.3	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #41	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4400.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #42	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4670.4	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #42	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4232.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #43	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4762.3	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #43	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4471.3	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #44	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4732.7	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #44	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4345.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #45	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4823.0	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #45	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4599.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #46	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4821.5	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #46	CN(CC[C@@H](N)CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4396.7	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #47	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4605.6	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #47	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4300.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #48	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4565.5	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #48	CN(CC[C@@H](N)CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O)[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4277.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4763.7	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #5	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N[Si](C)(C)C(C)(C)C)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C	4348.0	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #6	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4671.6	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #6	CN(CC[C@H](CC(=O)N([C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4317.6	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4856.4	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #7	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C	4458.5	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #8	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4661.2	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #8	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4249.8	Standard non polar	33892256
Blasticidin S,4TBDMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4751.1	Semi standard non polar	33892256
Blasticidin S,4TBDMS,isomer #9	CN(CC[C@H](CC(=O)N[C@H]1C=C[C@H](N2C=CC(N)=NC2=O)O[C@@H]1C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4515.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Blasticidin S GC-MS (Non-derivatized) - 70eV, Positive	splash10-004u-8942000000-6ff6559d943681804b68	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Blasticidin S GC-MS (1 TMS) - 70eV, Positive	splash10-004i-9714200000-3cd790292a7f5d5dd20b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Blasticidin S GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 10V, Positive-QTOF	splash10-03di-0900000000-994013e638d55ba253ce	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 20V, Positive-QTOF	splash10-03di-4930000000-532253d9ef579f305869	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 40V, Positive-QTOF	splash10-044j-9400000000-be76d4b6651965013681	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 10V, Negative-QTOF	splash10-00fr-0109300000-49fee3401838cbb720b5	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 20V, Negative-QTOF	splash10-024r-4209000000-ae00b3d54f5dbe12b35f	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 40V, Negative-QTOF	splash10-006x-9110000000-e0b08ceb4cc7977d3bdd	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 10V, Negative-QTOF	splash10-01sr-0009000000-f34331f0824fa16417b9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 20V, Negative-QTOF	splash10-03di-1129100000-4fc926a174b95f7b7783	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 40V, Negative-QTOF	splash10-00kf-9312100000-bf141f24ea9a3d22aa87	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 10V, Positive-QTOF	splash10-0nu0-0209600000-158816dc193d446538bc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 20V, Positive-QTOF	splash10-03fr-0309000000-48a7b42991d6ce866a5f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Blasticidin S 40V, Positive-QTOF	splash10-0m4o-9538000000-67cbb3064911526bdbfe	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Blasticidin S

METLIN ID

Not Available

PubChem Compound

258

PDB ID

Not Available

ChEBI ID

1145895

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Lu Y, Shen L, Li H, Hu D, Zhang X, Feng T, Huang J: [HBx induction of epithelial mesenchymal transition in mouse hepatic progenitor cells]. Xi Bao Yu Fen Zi Mian Yi Xue Za Zhi. 2013 Feb;29(2):146-9. [PubMed:23388333 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Blasticidin S (HMDB0030452)

MOL for HMDB0030452 (Blasticidin S)

3D MOL for HMDB0030452 (Blasticidin S)

3D SDF for HMDB0030452 (Blasticidin S)

3D-SDF for HMDB0030452 (Blasticidin S)

PDB for HMDB0030452 (Blasticidin S)

3D PDB for HMDB0030452 (Blasticidin S)

SMILES for HMDB0030452 (Blasticidin S)

INCHI for HMDB0030452 (Blasticidin S)

Structure for HMDB0030452 (Blasticidin S)

3D Structure for HMDB0030452 (Blasticidin S)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra