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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 19:09:18 UTC

Update Date

2021-09-26 23:14:38 UTC

HMDB ID

HMDB0257991

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid

Description

(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2s)-2-amino-3-[(2s,3r)-2-amino-3-[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1652309112121092D          

 26 26  0  0  0  0            999 V2000
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 N   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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
  3 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  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  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END

HMDB0257991
     RDKit          3D
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]...
 49 49  0  0  0  0  0  0  0  0999 V2000
   -2.0414   -0.8452   -0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593    0.1809   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1746   -0.2769   -0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1603    0.4229   -0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157    1.5022   -1.4307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.0264   -0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541   -1.2697   -0.1509 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    1.0553   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    0.7744   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489    0.1038    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958   -0.1972    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    0.1644    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9488   -0.1165    0.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816    0.8343   -1.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7363    1.1338   -1.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    0.4610    1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8485    1.4668    1.8810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836    0.8469    1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    1.9599    1.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0492    0.0695    0.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4218    0.4051    0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1042   -0.7666   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8572   -1.9349    0.6217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5343   -0.5117   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3845   -1.2640    0.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9270    0.5633   -1.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978   -1.5334   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274   -0.3368   -1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4209   -1.4754   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    1.1391   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211   -0.1828   -1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8589   -1.3395    0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082   -2.0410   -0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307    1.1642    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016    2.0143   -0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890   -0.2105    1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047   -0.7236    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   -1.0016   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7694    1.1345   -1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3331    1.6579   -2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5386   -0.4839    1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.3202    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    1.6829    2.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6012    1.3342   -0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8282    0.4748    1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5827   -0.8461   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051   -2.4479    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6242   -1.6607    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0109    0.4458   -2.1713 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
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  2 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 15  9  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 17 43  1  0
 21 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 26 49  1  0
M  END


  Mrv1652309112121092D          

 26 26  0  0  0  0            999 V2000
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 N   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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
  3 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  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  2  0  0  0  0
 19 24  1  0  0  0  0
 22 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0257991

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H23N3O7/c1-8(13(19)16(24)25-7-12(18)14(21)22)26-15(23)11(17)6-9-2-4-10(20)5-3-9/h2-5,8,11-13,20H,6-7,17-19H2,1H3,(H,21,22)

> <INCHI_KEY>
ODWBYFZNYLZCFM-UHFFFAOYSA-N

> <FORMULA>
C16H23N3O7

> <MOLECULAR_WEIGHT>
369.374

> <EXACT_MASS>
369.153600093

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
36.29663358640178

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-[(2-amino-3-{[2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}butanoyl)oxy]propanoic acid

> <ALOGPS_LOGP>
-2.19

> <JCHEM_LOGP>
-3.1396750064728374

> <ALOGPS_LOGS>
-2.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
9.556981958104332

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.6745849304317364

> <JCHEM_PKA_STRONGEST_BASIC>
8.566195051151814

> <JCHEM_POLAR_SURFACE_AREA>
188.19

> <JCHEM_REFRACTIVITY>
88.61360000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-3-[(2-amino-3-{[2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}butanoyl)oxy]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257991
     RDKit          3D
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]...
 49 49  0  0  0  0  0  0  0  0999 V2000
   -2.0414   -0.8452   -0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593    0.1809   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1746   -0.2769   -0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1603    0.4229   -0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157    1.5022   -1.4307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.0264   -0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541   -1.2697   -0.1509 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    1.0553   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    0.7744   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489    0.1038    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958   -0.1972    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    0.1644    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9488   -0.1165    0.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816    0.8343   -1.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7363    1.1338   -1.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    0.4610    1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8485    1.4668    1.8810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836    0.8469    1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    1.9599    1.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0492    0.0695    0.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4218    0.4051    0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1042   -0.7666   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8572   -1.9349    0.6217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5343   -0.5117   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3845   -1.2640    0.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9270    0.5633   -1.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978   -1.5334   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274   -0.3368   -1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4209   -1.4754   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    1.1391   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211   -0.1828   -1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8589   -1.3395    0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082   -2.0410   -0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307    1.1642    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016    2.0143   -0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890   -0.2105    1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047   -0.7236    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   -1.0016   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7694    1.1345   -1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3331    1.6579   -2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5386   -0.4839    1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.3202    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    1.6829    2.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6012    1.3342   -0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8282    0.4748    1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5827   -0.8461   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051   -2.4479    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6242   -1.6607    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0109    0.4458   -2.1713 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
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  2 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 15  9  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 17 43  1  0
 21 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 26 49  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      13.337 -12.320   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      12.003 -14.630   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.668 -14.630   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       9.336 -16.170   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      14.670 -16.170   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      17.338 -14.630   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.673 -14.630   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      24.006 -13.860   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      25.340 -14.630   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      25.340 -16.170   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      24.006 -16.940   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      22.673 -16.170   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      26.674 -16.940   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0      20.005 -16.170   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   14                                                  
CONECT    3    2    4   13                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    8                                                            
CONECT   13    3                                                            
CONECT   14    2   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   26                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23   19                                                       
CONECT   25   22                                                            
CONECT   26   17                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   52    0
END

COMPND    HMDB0257991
HETATM    1  C1  UNL     1      -2.041  -0.845  -0.845  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.159   0.181  -0.181  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.175  -0.277  -0.200  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.160   0.423  -0.849  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.816   1.502  -1.431  1.00  0.00           O  
HETATM    6  C4  UNL     1       2.592  -0.026  -0.896  1.00  0.00           C  
HETATM    7  N1  UNL     1       2.654  -1.270  -0.151  1.00  0.00           N  
HETATM    8  C5  UNL     1       3.406   1.055  -0.246  1.00  0.00           C  
HETATM    9  C6  UNL     1       4.847   0.774  -0.206  1.00  0.00           C  
HETATM   10  C7  UNL     1       5.349   0.104   0.891  1.00  0.00           C  
HETATM   11  C8  UNL     1       6.696  -0.197   1.000  1.00  0.00           C  
HETATM   12  C9  UNL     1       7.588   0.164   0.012  1.00  0.00           C  
HETATM   13  O3  UNL     1       8.949  -0.117   0.079  1.00  0.00           O  
HETATM   14  C10 UNL     1       7.082   0.834  -1.082  1.00  0.00           C  
HETATM   15  C11 UNL     1       5.736   1.134  -1.189  1.00  0.00           C  
HETATM   16  C12 UNL     1      -1.641   0.461   1.225  1.00  0.00           C  
HETATM   17  N2  UNL     1      -0.849   1.467   1.881  1.00  0.00           N  
HETATM   18  C13 UNL     1      -3.084   0.847   1.164  1.00  0.00           C  
HETATM   19  O4  UNL     1      -3.444   1.960   1.666  1.00  0.00           O  
HETATM   20  O5  UNL     1      -4.049   0.070   0.595  1.00  0.00           O  
HETATM   21  C14 UNL     1      -5.422   0.405   0.520  1.00  0.00           C  
HETATM   22  C15 UNL     1      -6.104  -0.767  -0.199  1.00  0.00           C  
HETATM   23  N3  UNL     1      -5.857  -1.935   0.622  1.00  0.00           N  
HETATM   24  C16 UNL     1      -7.534  -0.512  -0.404  1.00  0.00           C  
HETATM   25  O6  UNL     1      -8.384  -1.264   0.107  1.00  0.00           O  
HETATM   26  O7  UNL     1      -7.927   0.563  -1.162  1.00  0.00           O  
HETATM   27  H1  UNL     1      -2.498  -1.533  -0.103  1.00  0.00           H  
HETATM   28  H2  UNL     1      -2.827  -0.337  -1.421  1.00  0.00           H  
HETATM   29  H3  UNL     1      -1.421  -1.475  -1.509  1.00  0.00           H  
HETATM   30  H4  UNL     1      -1.264   1.139  -0.742  1.00  0.00           H  
HETATM   31  H5  UNL     1       2.821  -0.183  -1.953  1.00  0.00           H  
HETATM   32  H6  UNL     1       1.859  -1.340   0.513  1.00  0.00           H  
HETATM   33  H7  UNL     1       2.508  -2.041  -0.866  1.00  0.00           H  
HETATM   34  H8  UNL     1       3.031   1.164   0.796  1.00  0.00           H  
HETATM   35  H9  UNL     1       3.202   2.014  -0.753  1.00  0.00           H  
HETATM   36  H10 UNL     1       4.689  -0.211   1.710  1.00  0.00           H  
HETATM   37  H11 UNL     1       7.105  -0.724   1.856  1.00  0.00           H  
HETATM   38  H12 UNL     1       9.265  -1.002  -0.316  1.00  0.00           H  
HETATM   39  H13 UNL     1       7.769   1.134  -1.884  1.00  0.00           H  
HETATM   40  H14 UNL     1       5.333   1.658  -2.043  1.00  0.00           H  
HETATM   41  H15 UNL     1      -1.539  -0.484   1.797  1.00  0.00           H  
HETATM   42  H16 UNL     1      -0.713   2.320   1.305  1.00  0.00           H  
HETATM   43  H17 UNL     1      -1.220   1.683   2.831  1.00  0.00           H  
HETATM   44  H18 UNL     1      -5.601   1.334  -0.047  1.00  0.00           H  
HETATM   45  H19 UNL     1      -5.828   0.475   1.561  1.00  0.00           H  
HETATM   46  H20 UNL     1      -5.583  -0.846  -1.179  1.00  0.00           H  
HETATM   47  H21 UNL     1      -5.005  -2.448   0.281  1.00  0.00           H  
HETATM   48  H22 UNL     1      -5.624  -1.661   1.615  1.00  0.00           H  
HETATM   49  H23 UNL     1      -8.011   0.446  -2.171  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3   16   30
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    8   31
CONECT    7   32   33
CONECT    8    9   34   35
CONECT    9   10   10   15
CONECT   10   11   36
CONECT   11   12   12   37
CONECT   12   13   14
CONECT   13   38
CONECT   14   15   15   39
CONECT   15   40
CONECT   16   17   18   41
CONECT   17   42   43
CONECT   18   19   19   20
CONECT   20   21
CONECT   21   22   44   45
CONECT   22   23   24   46
CONECT   23   47   48
CONECT   24   25   25   26
CONECT   26   49
END

HMDB0257991
     RDKit          3D
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]...
 49 49  0  0  0  0  0  0  0  0999 V2000
   -2.0414   -0.8452   -0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1593    0.1809   -0.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1746   -0.2769   -0.2004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1603    0.4229   -0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8157    1.5022   -1.4307 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -0.0264   -0.8958 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541   -1.2697   -0.1509 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4063    1.0553   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8470    0.7744   -0.2065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489    0.1038    0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6958   -0.1972    1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    0.1644    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9488   -0.1165    0.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816    0.8343   -1.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7363    1.1338   -1.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6414    0.4610    1.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8485    1.4668    1.8810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0836    0.8469    1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    1.9599    1.6659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0492    0.0695    0.5948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4218    0.4051    0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1042   -0.7666   -0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8572   -1.9349    0.6217 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5343   -0.5117   -0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3845   -1.2640    0.1066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9270    0.5633   -1.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4978   -1.5334   -0.1031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274   -0.3368   -1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4209   -1.4754   -1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    1.1391   -0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211   -0.1828   -1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8589   -1.3395    0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082   -2.0410   -0.8656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0307    1.1642    0.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2016    2.0143   -0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890   -0.2105    1.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047   -0.7236    1.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   -1.0016   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7694    1.1345   -1.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3331    1.6579   -2.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5386   -0.4839    1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    2.3202    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2201    1.6829    2.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6012    1.3342   -0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8282    0.4748    1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5827   -0.8461   -1.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0051   -2.4479    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6242   -1.6607    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0109    0.4458   -2.1713 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
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
  2 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 15  9  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
 10 36  1  0
 11 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 17 42  1  0
 17 43  1  0
 21 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 23 48  1  0
 26 49  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoate	Generator
2-Amino-3-[(2-amino-3-{[2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}butanoyl)oxy]propanoate	HMDB

Chemical Formula

C₁₆H₂₃N₃O₇

Average Molecular Weight

369.374

Monoisotopic Molecular Weight

369.153600093

IUPAC Name

2-amino-3-[(2-amino-3-{[2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}butanoyl)oxy]propanoic acid

Traditional Name

2-amino-3-[(2-amino-3-{[2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}butanoyl)oxy]propanoic acid

CAS Registry Number

Not Available

SMILES

CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(N)C(O)=O

InChI Identifier

InChI=1S/C16H23N3O7/c1-8(13(19)16(24)25-7-12(18)14(21)22)26-15(23)11(17)6-9-2-4-10(20)5-3-9/h2-5,8,11-13,20H,6-7,17-19H2,1H3,(H,21,22)

InChI Key

ODWBYFZNYLZCFM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Tyrosine and derivatives

Alternative Parents

Substituents

Tyrosine or derivatives
Phenylalanine or derivatives
Alpha-amino acid ester
Amphetamine or derivatives
Alpha-amino acid
Tricarboxylic acid or derivatives
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Fatty acid ester
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Amino acid
Carboxylic acid ester
Carboxylic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	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
logP	-2.2	ALOGPS
logP	-3.1	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	1.67	ChemAxon
pKa (Strongest Basic)	8.57	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	188.19 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	88.61 m³·mol⁻¹	ChemAxon
Polarizability	36.3 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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
DeepCCS	[M+H]+	181.883	30932474
DeepCCS	[M-H]-	179.525	30932474
DeepCCS	[M-2H]-	213.61	30932474
DeepCCS	[M+Na]+	188.837	30932474

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
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.	2.31 minutes	32390414
Predicted by Siyang on May 30, 2022	11.2014 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	8.58 minutes	32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	397.8 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	238.0 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	50.5 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	170.0 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	67.7 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	342.9 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	264.5 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1282.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	613.3 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	58.4 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	635.3 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	170.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	288.1 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	759.9 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	845.4 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	623.6 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(N)C(O)=O	4043.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(N)C(O)=O	2894.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(N)C(O)=O	3315.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3017.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	2991.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	4993.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3009.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	2970.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	4736.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3000.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3080.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4853.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3109.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3102.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	5317.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2997.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2971.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4727.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #14	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3137.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #14	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3022.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #14	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5226.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #15	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3137.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #15	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3109.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #15	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5318.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3103.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3045.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	4544.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	3196.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	3105.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	5008.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3231.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3111.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5004.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #19	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3196.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #19	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3179.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #19	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	5010.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #2	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3009.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #2	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	2898.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #2	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	4904.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3233.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3200.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4972.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #21	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3223.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #21	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3094.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #21	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4889.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #22	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3229.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #22	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3101.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #22	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4854.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #3	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3010.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #3	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2994.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #3	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4984.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	3069.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	2985.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	4665.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3075.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3089.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	4683.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #6	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O	3199.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #6	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O	3116.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #6	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O	5172.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3075.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	2976.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	4560.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #8	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3247.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #8	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3033.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #8	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5075.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #9	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3215.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #9	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3119.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TMS,isomer #9	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5060.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3056.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	2986.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	4285.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3215.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3171.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O	4523.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3235.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3187.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4489.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #12	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3245.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #12	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3077.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #12	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4399.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3232.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3081.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4372.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3047.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3052.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4061.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3113.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3075.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	4520.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3150.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3080.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4514.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3124.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3171.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4633.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3142.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3181.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4636.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3152.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3073.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4502.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3049.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3080.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4395.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #20	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3145.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #20	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3072.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #20	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4511.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3216.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3134.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	4282.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3262.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3142.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4277.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #23	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3256.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #23	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3154.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #23	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4249.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #24	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3398.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #24	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3226.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #24	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4754.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #25	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3384.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #25	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3296.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #25	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4742.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #26	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3391.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #26	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3206.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #26	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4608.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3166.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3098.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C	4823.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #4	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3038.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #4	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2980.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #4	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4269.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #5	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3216.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #5	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3018.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #5	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4727.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3188.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3103.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4821.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3136.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3049.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	4097.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	3221.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	3090.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O	4502.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3261.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3096.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4496.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3130.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3072.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3759.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3269.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3152.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3929.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3450.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3197.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4365.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3419.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3269.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4376.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3424.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3188.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4244.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3166.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3142.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3905.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3196.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3151.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3894.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3187.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3148.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3907.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3350.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3186.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4350.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3356.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3272.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4471.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3355.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3183.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4339.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3192.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	3094.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C	4166.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3438.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3238.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4098.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3426.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3242.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4082.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3447.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3252.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4071.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3239.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3097.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4156.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3204.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3170.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4271.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3229.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3180.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4271.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3230.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3091.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4138.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3219.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3090.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4147.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3257.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3138.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O	3954.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3280.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3145.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,5TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3939.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3261.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3173.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3643.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3401.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3251.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3744.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3385.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3246.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3763.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3402.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3259.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3745.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #13	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3681.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #13	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3348.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #13	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3913.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3279.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3180.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3625.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3282.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3179.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3644.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3435.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3208.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4055.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3443.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3278.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4172.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3428.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3207.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4035.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3472.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3246.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3800.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3444.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3250.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3799.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3464.8	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3259.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,6TMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3781.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3482.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3287.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3544.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3469.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3285.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(N[Si](C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3564.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3475.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3296.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3545.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3723.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3367.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3689.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3666.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3366.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,7TMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(C(=O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3648.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3673.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3530.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4941.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3561.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3496.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4661.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3586.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3603.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4752.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3760.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3609.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #12	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	5119.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3567.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3493.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4646.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #14	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3754.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #14	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3507.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #14	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5038.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #15	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3775.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #15	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3619.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #15	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5116.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3634.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3541.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4515.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	3814.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	3586.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	4836.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3836.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3584.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4833.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #19	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3820.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #19	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3671.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #19	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4855.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #2	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3649.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #2	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3437.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #2	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4864.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3839.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3665.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #20	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4823.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #21	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3825.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #21	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3562.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #21	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4747.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #22	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3821.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #22	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3554.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #22	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4718.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #3	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3662.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #3	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3532.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #3	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4930.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	3734.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	3501.8	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #4	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	4683.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3761.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3595.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #5	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4703.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #6	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O	3894.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #6	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O	3612.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #6	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O	5058.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3739.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3488.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #7	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4601.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #8	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3886.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #8	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3514.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #8	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4976.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #9	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3874.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #9	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3599.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,3TBDMS,isomer #9	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4971.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3874.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3640.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #1	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4435.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4112.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3787.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #10	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4601.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4107.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3781.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #11	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4580.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #12	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4105.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #12	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #12	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4495.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4085.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3692.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #13	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4481.1	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3740.5	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3685.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #14	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4257.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3938.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3704.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #15	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4543.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3956.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3700.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #16	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4539.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3956.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3796.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #17	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4623.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3976.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3801.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #18	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4625.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3952.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3692.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #19	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4525.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3884.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3716.0	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #2	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4515.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #20	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3961.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #20	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3696.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #20	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4531.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4027.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3754.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #21	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4388.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4050.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3750.9	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #22	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4378.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #23	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4037.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #23	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3746.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #23	CC(OC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4365.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #24	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4214.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #24	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3787.7	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #24	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4690.8	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #25	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4204.6	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #25	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3862.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #25	CC(OC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4693.0	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #26	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O)N([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	4211.3	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #26	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O)N([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	3757.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #26	CC(OC(=O)C(N)CC1=CC=C(O)C=C1)C(C(=O)OCC(C(=O)O)N([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	4594.2	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4063.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3732.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #3	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N)C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C	4840.4	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #4	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3866.1	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #4	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3630.3	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #4	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4415.5	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #5	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4047.7	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #5	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3647.5	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #5	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(C(=O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4764.9	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4056.2	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3734.6	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #6	CC(OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(N)C(=O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4833.6	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3919.9	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3681.2	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #7	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O	4310.7	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	4103.0	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	3707.1	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #8	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)C(=O)OCC(N)C(=O)O	4576.3	Standard polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4124.4	Semi standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3704.4	Standard non polar	33892256
(2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid,4TBDMS,isomer #9	CC(OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(C(=O)OCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4570.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-3900000000-dcf5dd576f067c76e0db	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76106838

PDB ID

Not Available

ChEBI ID

Not Available

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid (HMDB0257991)

MOL for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

3D MOL for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

3D SDF for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

3D-SDF for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

PDB for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

3D PDB for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

SMILES for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

INCHI for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

Structure for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

3D Structure for HMDB0257991 ((2S)-2-Amino-3-[(2S,3R)-2-amino-3-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxybutanoyl]oxypropanoic acid)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra