Hmdb loader

Showing metabocard for Tryptophyl-Tryptophan (HMDB0029094)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:03:40 UTC
Update Date2021-09-14 15:37:04 UTC
HMDB IDHMDB0029094
Secondary Accession Numbers
  • HMDB29094
Metabolite Identification
Common NameTryptophyl-Tryptophan
DescriptionTryptophyl-Tryptophan is a dipeptied compoosed of two tryptophan residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.
Structure
Data?1582753374
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029094 (Tryptophyl-Tryptophan)


  Mrv1652304062014202D          

 29 32  0  0  0  0            999 V2000
   -7.3826   -2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9346   -1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6797   -1.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8727   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3207   -1.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5756   -2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5670   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6533   -0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4602   -0.2716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8525   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381   -0.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8525   -0.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -0.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -1.6761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091   -0.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -2.5011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2802   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275   -2.6681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400   -1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
M  END
Download

3D MOL for HMDB0029094 (Tryptophyl-Tryptophan)

HMDB0029094
     RDKit          3D
Tryptophyl-Tryptophan
 51 54  0  0  0  0  0  0  0  0999 V2000
   -2.9344   -1.2870    3.1227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -0.1093    2.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6343    0.3403    1.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1475   -0.6383    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082   -1.3949    0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009   -2.2024   -0.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5324   -2.0174   -1.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3539   -2.6333   -2.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705   -2.2550   -3.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4042   -1.2735   -2.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005   -0.6673   -1.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6769   -1.0418   -0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2184   -0.3390    1.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732   -1.5260    1.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    0.7002    1.1496 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    0.3709    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193    0.8504    1.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2896    0.6484    0.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220   -0.4440    1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3028   -0.2991    0.6648 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3126    0.8372   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2869    1.4450   -0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    2.6436   -1.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    3.2337   -1.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.6355   -0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794    1.4235    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472    0.9336   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    1.7911   -1.2364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    0.5238   -1.6923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -1.5213    3.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1477   -2.0927    2.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472    0.6764    3.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2889    1.2519    0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793    0.7404    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9218   -1.3148    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3041   -2.8859   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0125   -3.3941   -2.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224   -2.7292   -4.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -1.0071   -3.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539    0.0801   -1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155    1.6914    1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402   -0.7523    0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688    0.2831    2.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    1.9291    1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8012   -1.2399    1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0968   -0.9756    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    0.9539   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8033    3.1284   -2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    4.1849   -1.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787    3.0866   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777   -0.3421   -1.5420 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 16 27  1  0
 27 28  2  0
 27 29  1  0
 12  4  1  0
 26 18  1  0
 12  7  1  0
 26 21  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  5 35  1  0
  6 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 19 45  1  0
 20 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 29 51  1  0
M  END
Download

3D SDF for HMDB0029094 (Tryptophyl-Tryptophan)


  Mrv1652304062014202D          

 29 32  0  0  0  0            999 V2000
   -7.3826   -2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9346   -1.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6797   -1.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8727   -0.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3207   -1.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5756   -2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5670   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6533   -0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4602   -0.2716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8525   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1381   -0.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8525   -0.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -0.0261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4236   -1.6761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7091   -0.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -2.5011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2802   -1.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5657   -1.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -2.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3275   -2.6681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7400   -1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1880   -1.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429   -0.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -0.3844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019   -0.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029094

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)

> <INCHI_KEY>
NQIHMZLGCZNZBN-UHFFFAOYSA-N

> <FORMULA>
C22H22N4O3

> <MOLECULAR_WEIGHT>
390.4351

> <EXACT_MASS>
390.16919059

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
41.29753532317159

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid

> <ALOGPS_LOGP>
0.36

> <JCHEM_LOGP>
0.13134490500215365

> <ALOGPS_LOGS>
-4.45

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.696532436695254

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.8340649775283806

> <JCHEM_PKA_STRONGEST_BASIC>
7.959216410734242

> <JCHEM_POLAR_SURFACE_AREA>
124.0

> <JCHEM_REFRACTIVITY>
109.20570000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.37e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-tryptophyl-L-tryptophan

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029094 (Tryptophyl-Tryptophan)

HMDB0029094
     RDKit          3D
Tryptophyl-Tryptophan
 51 54  0  0  0  0  0  0  0  0999 V2000
   -2.9344   -1.2870    3.1227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034   -0.1093    2.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6343    0.3403    1.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1475   -0.6383    0.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082   -1.3949    0.7888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009   -2.2024   -0.2595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5324   -2.0174   -1.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3539   -2.6333   -2.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2705   -2.2550   -3.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4042   -1.2735   -2.6555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6005   -0.6673   -1.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6769   -1.0418   -0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2184   -0.3390    1.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7732   -1.5260    1.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390    0.7002    1.1496 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8367    0.3709    0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193    0.8504    1.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2896    0.6484    0.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220   -0.4440    1.2832 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3028   -0.2991    0.6648 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3126    0.8372   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2869    1.4450   -0.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    2.6436   -1.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    3.2337   -1.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.6355   -0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794    1.4235    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472    0.9336   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    1.7911   -1.2364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9557    0.5238   -1.6923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -1.5213    3.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1477   -2.0927    2.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472    0.6764    3.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2889    1.2519    0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4793    0.7404    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9218   -1.3148    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3041   -2.8859   -0.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0125   -3.3941   -2.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224   -2.7292   -4.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -1.0071   -3.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9539    0.0801   -1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7155    1.6914    1.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9402   -0.7523    0.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688    0.2831    2.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    1.9291    1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8012   -1.2399    1.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0968   -0.9756    0.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2479    0.9539   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8033    3.1284   -2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    4.1849   -1.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787    3.0866   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4777   -0.3421   -1.5420 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
  2 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 16 27  1  0
 27 28  2  0
 27 29  1  0
 12  4  1  0
 26 18  1  0
 12  7  1  0
 26 21  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  5 35  1  0
  6 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 19 45  1  0
 20 46  1  0
 22 47  1  0
 23 48  1  0
 24 49  1  0
 25 50  1  0
 29 51  1  0
M  END
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PDB for HMDB0029094 (Tryptophyl-Tryptophan)

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0     -13.781  -4.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -14.811  -3.626   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -14.335  -2.161   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -12.829  -1.841   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -11.799  -2.985   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -12.274  -4.450   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -10.392  -2.359   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -10.553  -0.827   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0     -12.059  -0.507   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -9.058  -3.129   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -7.724  -2.359   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -7.724  -0.819   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -9.058  -0.049   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -6.391  -0.049   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      -6.391  -3.129   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -5.057  -2.359   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -5.057  -0.819   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -3.723  -3.129   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -3.723  -4.669   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -2.390  -2.359   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.056  -3.129   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.895  -4.660   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       0.611  -4.980   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       1.381  -3.647   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.351  -2.502   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.827  -1.038   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.333  -0.718   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.364  -1.862   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.888  -3.327   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    7   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   25                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   21   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   24                                                       
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END
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3D PDB for HMDB0029094 (Tryptophyl-Tryptophan)

COMPND    HMDB0029094
HETATM    1  N1  UNL     1      -2.934  -1.287   3.123  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.503  -0.109   2.374  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.634   0.340   1.516  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.147  -0.638   0.553  1.00  0.00           C  
HETATM    5  C4  UNL     1      -5.308  -1.395   0.789  1.00  0.00           C  
HETATM    6  N2  UNL     1      -5.501  -2.202  -0.260  1.00  0.00           N  
HETATM    7  C5  UNL     1      -4.532  -2.017  -1.168  1.00  0.00           C  
HETATM    8  C6  UNL     1      -4.354  -2.633  -2.385  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.271  -2.255  -3.143  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.404  -1.273  -2.656  1.00  0.00           C  
HETATM   11  C9  UNL     1      -2.601  -0.667  -1.432  1.00  0.00           C  
HETATM   12  C10 UNL     1      -3.677  -1.042  -0.675  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.218  -0.339   1.705  1.00  0.00           C  
HETATM   14  O1  UNL     1      -0.773  -1.526   1.618  1.00  0.00           O  
HETATM   15  N3  UNL     1      -0.439   0.700   1.150  1.00  0.00           N  
HETATM   16  C12 UNL     1       0.837   0.371   0.507  1.00  0.00           C  
HETATM   17  C13 UNL     1       1.919   0.850   1.420  1.00  0.00           C  
HETATM   18  C14 UNL     1       3.290   0.648   0.965  1.00  0.00           C  
HETATM   19  C15 UNL     1       4.122  -0.444   1.283  1.00  0.00           C  
HETATM   20  N4  UNL     1       5.303  -0.299   0.665  1.00  0.00           N  
HETATM   21  C16 UNL     1       5.313   0.837  -0.057  1.00  0.00           C  
HETATM   22  C17 UNL     1       6.287   1.445  -0.858  1.00  0.00           C  
HETATM   23  C18 UNL     1       6.065   2.644  -1.497  1.00  0.00           C  
HETATM   24  C19 UNL     1       4.823   3.234  -1.314  1.00  0.00           C  
HETATM   25  C20 UNL     1       3.868   2.635  -0.527  1.00  0.00           C  
HETATM   26  C21 UNL     1       4.079   1.423   0.123  1.00  0.00           C  
HETATM   27  C22 UNL     1       0.947   0.934  -0.829  1.00  0.00           C  
HETATM   28  O2  UNL     1       0.138   1.791  -1.236  1.00  0.00           O  
HETATM   29  O3  UNL     1       1.956   0.524  -1.692  1.00  0.00           O  
HETATM   30  H1  UNL     1      -2.249  -1.521   3.872  1.00  0.00           H  
HETATM   31  H2  UNL     1      -3.148  -2.093   2.495  1.00  0.00           H  
HETATM   32  H3  UNL     1      -2.347   0.676   3.187  1.00  0.00           H  
HETATM   33  H4  UNL     1      -3.289   1.252   0.951  1.00  0.00           H  
HETATM   34  H5  UNL     1      -4.479   0.740   2.151  1.00  0.00           H  
HETATM   35  H6  UNL     1      -5.922  -1.315   1.678  1.00  0.00           H  
HETATM   36  H7  UNL     1      -6.304  -2.886  -0.349  1.00  0.00           H  
HETATM   37  H8  UNL     1      -5.012  -3.394  -2.779  1.00  0.00           H  
HETATM   38  H9  UNL     1      -3.122  -2.729  -4.094  1.00  0.00           H  
HETATM   39  H10 UNL     1      -1.556  -1.007  -3.296  1.00  0.00           H  
HETATM   40  H11 UNL     1      -1.954   0.080  -1.057  1.00  0.00           H  
HETATM   41  H12 UNL     1      -0.715   1.691   1.169  1.00  0.00           H  
HETATM   42  H13 UNL     1       0.940  -0.752   0.475  1.00  0.00           H  
HETATM   43  H14 UNL     1       1.769   0.283   2.394  1.00  0.00           H  
HETATM   44  H15 UNL     1       1.817   1.929   1.682  1.00  0.00           H  
HETATM   45  H16 UNL     1       3.801  -1.240   1.929  1.00  0.00           H  
HETATM   46  H17 UNL     1       6.097  -0.976   0.737  1.00  0.00           H  
HETATM   47  H18 UNL     1       7.248   0.954  -0.978  1.00  0.00           H  
HETATM   48  H19 UNL     1       6.803   3.128  -2.120  1.00  0.00           H  
HETATM   49  H20 UNL     1       4.618   4.185  -1.809  1.00  0.00           H  
HETATM   50  H21 UNL     1       2.879   3.087  -0.371  1.00  0.00           H  
HETATM   51  H22 UNL     1       2.478  -0.342  -1.542  1.00  0.00           H  
CONECT    1    2   30   31
CONECT    2    3   13   32
CONECT    3    4   33   34
CONECT    4    5    5   12
CONECT    5    6   35
CONECT    6    7   36
CONECT    7    8    8   12
CONECT    8    9   37
CONECT    9   10   10   38
CONECT   10   11   39
CONECT   11   12   12   40
CONECT   13   14   14   15
CONECT   15   16   41
CONECT   16   17   27   42
CONECT   17   18   43   44
CONECT   18   19   19   26
CONECT   19   20   45
CONECT   20   21   46
CONECT   21   22   22   26
CONECT   22   23   47
CONECT   23   24   24   48
CONECT   24   25   49
CONECT   25   26   26   50
CONECT   27   28   28   29
CONECT   29   51
END
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SMILES for HMDB0029094 (Tryptophyl-Tryptophan)

NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
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INCHI for HMDB0029094 (Tryptophyl-Tryptophan)

InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
L-Tryptophyl-L-tryptophanHMDB
TRP-TRPHMDB
Tryptophan tryptophan dipeptideHMDB
Tryptophan-tryptophan dipeptideHMDB
TryptophyltryptophanHMDB
W-W DipeptideHMDB
WW DipeptideHMDB
1-Tryptophan-1-tryptophanHMDB
Tryptophan-tryptophanHMDB
2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-(1H-indol-3-yl)propanoateHMDB
Tryptophyl-tryptophanMeSH
Chemical FormulaC22H22N4O3
Average Molecular Weight390.4351
Monoisotopic Molecular Weight390.16919059
IUPAC Name2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Traditional NameL-tryptophyl-L-tryptophan
CAS Registry NumberNot Available
SMILES
NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O
InChI Identifier
InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)
InChI KeyNQIHMZLGCZNZBN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Indolyl carboxylic acid derivative
  • Triptan
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Aralkylamine
  • Fatty amide
  • Substituted pyrrole
  • Fatty acyl
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Organoheterocyclic compound
  • Azacycle
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Amine
  • Primary amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP0.13Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.014 g/LALOGPS
logP0.36ALOGPS
logP0.13ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)3.83ChemAxon
pKa (Strongest Basic)7.96ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area124 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity109.21 m³·mol⁻¹ChemAxon
Polarizability41.3 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+191.4431661259
DarkChem[M-H]-188.12831661259
DeepCCS[M-2H]-218.81630932474
DeepCCS[M+Na]+194.04330932474
AllCCS[M+H]+195.332859911
AllCCS[M+H-H2O]+192.732859911
AllCCS[M+NH4]+197.732859911
AllCCS[M+Na]+198.432859911
AllCCS[M-H]-192.732859911
AllCCS[M+Na-2H]-192.732859911
AllCCS[M+HCOO]-192.832859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.4.99 minutes32390414
Predicted by Siyang on May 30, 202211.6245 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20226.2 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid91.0 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1807.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid229.7 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid151.0 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid170.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid265.0 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid362.1 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid337.4 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)377.6 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid854.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid465.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1232.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid341.3 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid288.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate319.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA277.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water118.0 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tryptophyl-TryptophanNC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O5356.6Standard polar33892256
Tryptophyl-TryptophanNC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O3358.3Standard non polar33892256
Tryptophyl-TryptophanNC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O4107.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tryptophyl-Tryptophan,1TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C123835.9Semi standard non polar33892256
Tryptophyl-Tryptophan,1TMS,isomer #2C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O3919.4Semi standard non polar33892256
Tryptophyl-Tryptophan,1TMS,isomer #3C[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)C2=CC=CC=C213907.1Semi standard non polar33892256
Tryptophyl-Tryptophan,1TMS,isomer #4C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O3944.8Semi standard non polar33892256
Tryptophyl-Tryptophan,1TMS,isomer #5C[Si](C)(C)N1C=C(CC(NC(=O)C(N)CC2=C[NH]C3=CC=CC=C23)C(=O)O)C2=CC=CC=C213922.9Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #1C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3861.5Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #1C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3577.3Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #10C[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)C2=CC=CC=C213928.1Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #10C[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)O)C2=CC=CC=C213594.9Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #11C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3914.7Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #11C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3607.9Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C123826.8Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C123506.5Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C3849.4Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C3551.7Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C123821.7Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #4C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C123500.7Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #5C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C4032.8Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #5C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3708.0Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #6C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O3897.1Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #6C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O3638.8Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #7C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3885.2Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #7C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3648.4Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #8C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3902.1Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #8C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3642.3Standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #9C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O3910.8Semi standard non polar33892256
Tryptophyl-Tryptophan,2TMS,isomer #9C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O3607.6Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3949.6Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3701.0Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #10C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3998.5Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #10C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3758.4Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #11C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3867.4Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #11C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3699.4Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #12C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3898.2Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #12C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3667.7Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #13C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3868.7Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #13C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3704.7Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #14C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3883.1Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #14C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3625.1Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #2C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3846.2Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #2C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3588.5Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #3C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3870.1Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #3C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3658.6Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #4C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3845.6Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #4C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3598.6Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C3830.1Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C3578.3Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #6C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C123817.2Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #6C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C123524.3Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C3827.0Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C3582.7Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #8C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3996.7Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #8C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3765.6Standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #9C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O3995.4Semi standard non polar33892256
Tryptophyl-Tryptophan,3TMS,isomer #9C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O3778.2Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3949.8Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3713.1Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #10C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O4008.6Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #10C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3813.4Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #11C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3873.3Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #11C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3703.1Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3992.5Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3772.9Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3950.1Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3710.8Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #4C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3853.7Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #4C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3656.2Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #5C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3835.7Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #5C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3595.8Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #6C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3853.7Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #6C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3663.3Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C3825.6Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #7C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C3577.4Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #8C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O4005.0Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #8C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O3810.3Standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #9C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C4031.2Semi standard non polar33892256
Tryptophyl-Tryptophan,4TMS,isomer #9C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3774.1Standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4016.8Semi standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3791.3Standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3981.5Semi standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #2C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C3719.3Standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4015.6Semi standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #3C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3788.2Standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #4C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3859.9Semi standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #4C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3668.6Standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #5C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O4051.8Semi standard non polar33892256
Tryptophyl-Tryptophan,5TMS,isomer #5C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3819.9Standard non polar33892256
Tryptophyl-Tryptophan,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4056.9Semi standard non polar33892256
Tryptophyl-Tryptophan,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3788.3Standard non polar33892256
Tryptophyl-Tryptophan,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C124153.8Semi standard non polar33892256
Tryptophyl-Tryptophan,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O4191.9Semi standard non polar33892256
Tryptophyl-Tryptophan,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC2=C[NH]C3=CC=CC=C23)C(=O)O)C2=CC=CC=C214197.0Semi standard non polar33892256
Tryptophyl-Tryptophan,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O4225.7Semi standard non polar33892256
Tryptophyl-Tryptophan,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C=C(CC(NC(=O)C(N)CC2=C[NH]C3=CC=CC=C23)C(=O)O)C2=CC=CC=C214207.9Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C4352.6Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3999.5Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)C2=CC=CC=C214400.7Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)O)C2=CC=CC=C213956.1Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4422.2Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3969.5Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C124348.0Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C123913.9Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C4418.4Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C3967.2Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C124347.6Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C123908.1Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4550.4Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4084.5Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O4362.5Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O4028.7Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4413.2Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4055.1Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4365.6Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4027.1Standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O4417.8Semi standard non polar33892256
Tryptophyl-Tryptophan,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O3971.2Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4694.4Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4248.1Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4739.1Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4253.5Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4571.4Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4227.5Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4511.8Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4173.1Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4574.1Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4232.6Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4580.3Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4086.3Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C4454.9Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C4161.1Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4576.0Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4241.3Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C4452.4Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C4171.9Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C4549.5Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C4112.8Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C124472.8Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C124057.8Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C4544.8Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C4116.2Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4737.5Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4262.0Standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O4767.1Semi standard non polar33892256
Tryptophyl-Tryptophan,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O4312.1Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4825.0Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4379.9Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4929.0Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4435.9Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4689.8Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4319.3Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4902.6Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4462.9Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4825.4Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4375.7Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4660.6Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4365.3Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C4555.6Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C4247.8Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4663.9Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4370.9Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C4646.3Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C4204.5Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O4925.1Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC1=C[NH]C2=CC=CC=C12)C(=O)O4433.5Standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4889.4Semi standard non polar33892256
Tryptophyl-Tryptophan,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4356.9Standard non polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112098
KNApSAcK IDNot Available
Chemspider ID281740
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound318292
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Mirassou Y, Santiveri CM, Perez de Vega MJ, Gonzalez-Muniz R, Jimenez MA: Disulfide bonds versus TrpTrp pairs in irregular beta-hairpins: NMR structure of vammin loop 3-derived peptides as a case study. Chembiochem. 2009 Mar 23;10(5):902-10. doi: 10.1002/cbic.200800834. [PubMed:19294654 ]