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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 23:41:17 UTC

Update Date

2021-09-26 23:18:06 UTC

HMDB ID

HMDB0260146

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid

Description

2-amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyloxy)phenyl]-4-oxobutanoic acid belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Based on a literature review very few articles have been published on 2-amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyloxy)phenyl]-4-oxobutanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2s)-2-amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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


  Mrv1652309122101412D          

 26 27  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END

HMDB0260146
     RDKit          3D
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic ...
 43 44  0  0  0  0  0  0  0  0999 V2000
   -4.7970    1.6912    0.5626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005    0.3325    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730   -0.1096   -0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2693    0.7260   -0.2183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3746   -1.4159   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3147   -2.3038   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0815   -1.8339   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8452   -0.5383    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -0.0702    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3038    1.1075    0.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -0.9366    0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -0.5093    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305   -0.5135    2.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4889   -0.0877    2.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961    0.3588    1.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    0.3732    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.8144   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    0.7702   -1.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    1.2932   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4052    0.5034   -1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2467    0.5604   -2.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4721   -0.8871   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3991   -1.8997   -1.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6237   -1.1446    0.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.0651    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829   -0.0478   -1.3304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5658    2.4619   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511    1.9715    1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2384    1.6976    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3510   -1.7944   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4758   -3.3445   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -2.5211   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041   -0.8710    3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.1016    3.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678    0.6745    2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    1.3549    0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020    2.3314   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555    1.0545   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211   -0.1182   -2.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747    1.5467   -2.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934   -0.5070    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503   -0.9085   -1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    0.9052   -1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 16 25  2  0
 25 26  1  0
  8  2  1  0
 25 12  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 19 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 21 40  1  0
 24 41  1  0
 26 42  1  0
 26 43  1  0
M  END


  Mrv1652309122101412D          

 26 27  0  0  0  0            999 V2000
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0260146

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC(=O)C1=C(N)C(OC(=O)C2=C(N)C(O)=CC=C2)=CC=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H17N3O6/c18-10(16(23)24)7-12(22)8-3-2-6-13(15(8)20)26-17(25)9-4-1-5-11(21)14(9)19/h1-6,10,21H,7,18-20H2,(H,23,24)

> <INCHI_KEY>
QGVRYNWEFHUDKD-UHFFFAOYSA-N

> <FORMULA>
C17H17N3O6

> <MOLECULAR_WEIGHT>
359.338

> <EXACT_MASS>
359.111735279

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
35.47872416134502

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyloxy)phenyl]-4-oxobutanoic acid

> <ALOGPS_LOGP>
-0.54

> <JCHEM_LOGP>
-0.7293093639741426

> <ALOGPS_LOGS>
-3.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.718290628011053

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.4482781372813611

> <JCHEM_PKA_STRONGEST_BASIC>
8.880273849184805

> <JCHEM_POLAR_SURFACE_AREA>
178.95999999999998

> <JCHEM_REFRACTIVITY>
93.53439999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.11e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyloxy)phenyl]-4-oxobutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0260146
     RDKit          3D
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic ...
 43 44  0  0  0  0  0  0  0  0999 V2000
   -4.7970    1.6912    0.5626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005    0.3325    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730   -0.1096   -0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2693    0.7260   -0.2183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3746   -1.4159   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3147   -2.3038   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0815   -1.8339   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8452   -0.5383    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -0.0702    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3038    1.1075    0.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -0.9366    0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -0.5093    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305   -0.5135    2.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4889   -0.0877    2.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961    0.3588    1.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    0.3732    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.8144   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    0.7702   -1.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    1.2932   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4052    0.5034   -1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2467    0.5604   -2.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4721   -0.8871   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3991   -1.8997   -1.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6237   -1.1446    0.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.0651    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829   -0.0478   -1.3304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5658    2.4619   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511    1.9715    1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2384    1.6976    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3510   -1.7944   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4758   -3.3445   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -2.5211   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041   -0.8710    3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.1016    3.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678    0.6745    2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    1.3549    0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020    2.3314   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555    1.0545   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211   -0.1182   -2.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747    1.5467   -2.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934   -0.5070    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503   -0.9085   -1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    0.9052   -1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 16 25  2  0
 25 26  1  0
  8  2  1  0
 25 12  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 19 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 21 40  1  0
 24 41  1  0
 26 42  1  0
 26 43  1  0
M  END

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       2.667  -4.620   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0       6.668   3.850   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4                                                            
CONECT    9    3   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   12   18                                                  
CONECT   18   17                                                            
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   22                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   54    0
END

COMPND    HMDB0260146
HETATM    1  N1  UNL     1      -4.797   1.691   0.563  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.901   0.332   0.177  1.00  0.00           C  
HETATM    3  C2  UNL     1      -6.173  -0.110  -0.210  1.00  0.00           C  
HETATM    4  O1  UNL     1      -7.269   0.726  -0.218  1.00  0.00           O  
HETATM    5  C3  UNL     1      -6.375  -1.416  -0.601  1.00  0.00           C  
HETATM    6  C4  UNL     1      -5.315  -2.304  -0.614  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.082  -1.834  -0.228  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.845  -0.538   0.167  1.00  0.00           C  
HETATM    9  C7  UNL     1      -2.518  -0.070   0.573  1.00  0.00           C  
HETATM   10  O2  UNL     1      -2.304   1.108   0.933  1.00  0.00           O  
HETATM   11  O3  UNL     1      -1.417  -0.937   0.573  1.00  0.00           O  
HETATM   12  C8  UNL     1      -0.158  -0.509   0.953  1.00  0.00           C  
HETATM   13  C9  UNL     1       0.231  -0.513   2.273  1.00  0.00           C  
HETATM   14  C10 UNL     1       1.489  -0.088   2.661  1.00  0.00           C  
HETATM   15  C11 UNL     1       2.396   0.359   1.700  1.00  0.00           C  
HETATM   16  C12 UNL     1       2.040   0.373   0.392  1.00  0.00           C  
HETATM   17  C13 UNL     1       2.974   0.814  -0.633  1.00  0.00           C  
HETATM   18  O4  UNL     1       2.580   0.770  -1.852  1.00  0.00           O  
HETATM   19  C14 UNL     1       4.312   1.293  -0.343  1.00  0.00           C  
HETATM   20  C15 UNL     1       5.405   0.503  -1.040  1.00  0.00           C  
HETATM   21  N2  UNL     1       5.247   0.560  -2.477  1.00  0.00           N  
HETATM   22  C16 UNL     1       5.472  -0.887  -0.558  1.00  0.00           C  
HETATM   23  O5  UNL     1       5.399  -1.900  -1.308  1.00  0.00           O  
HETATM   24  O6  UNL     1       5.624  -1.145   0.798  1.00  0.00           O  
HETATM   25  C17 UNL     1       0.757  -0.065   0.041  1.00  0.00           C  
HETATM   26  N3  UNL     1       0.383  -0.048  -1.330  1.00  0.00           N  
HETATM   27  H1  UNL     1      -4.566   2.462  -0.111  1.00  0.00           H  
HETATM   28  H2  UNL     1      -4.951   1.972   1.554  1.00  0.00           H  
HETATM   29  H3  UNL     1      -7.238   1.698   0.047  1.00  0.00           H  
HETATM   30  H4  UNL     1      -7.351  -1.794  -0.906  1.00  0.00           H  
HETATM   31  H5  UNL     1      -5.476  -3.344  -0.924  1.00  0.00           H  
HETATM   32  H6  UNL     1      -3.250  -2.521  -0.238  1.00  0.00           H  
HETATM   33  H7  UNL     1      -0.504  -0.871   3.005  1.00  0.00           H  
HETATM   34  H8  UNL     1       1.761  -0.102   3.699  1.00  0.00           H  
HETATM   35  H9  UNL     1       3.368   0.675   2.088  1.00  0.00           H  
HETATM   36  H10 UNL     1       4.524   1.355   0.712  1.00  0.00           H  
HETATM   37  H11 UNL     1       4.402   2.331  -0.803  1.00  0.00           H  
HETATM   38  H12 UNL     1       6.355   1.055  -0.808  1.00  0.00           H  
HETATM   39  H13 UNL     1       5.821  -0.118  -2.982  1.00  0.00           H  
HETATM   40  H14 UNL     1       5.375   1.547  -2.781  1.00  0.00           H  
HETATM   41  H15 UNL     1       6.093  -0.507   1.395  1.00  0.00           H  
HETATM   42  H16 UNL     1       0.350  -0.908  -1.930  1.00  0.00           H  
HETATM   43  H17 UNL     1       0.131   0.905  -1.731  1.00  0.00           H  
CONECT    1    2   27   28
CONECT    2    3    3    8
CONECT    3    4    5
CONECT    4   29
CONECT    5    6    6   30
CONECT    6    7   31
CONECT    7    8    8   32
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12
CONECT   12   13   13   25
CONECT   13   14   33
CONECT   14   15   15   34
CONECT   15   16   35
CONECT   16   17   25   25
CONECT   17   18   18   19
CONECT   19   20   36   37
CONECT   20   21   22   38
CONECT   21   39   40
CONECT   22   23   23   24
CONECT   24   41
CONECT   25   26
CONECT   26   42   43
END

HMDB0260146
     RDKit          3D
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic ...
 43 44  0  0  0  0  0  0  0  0999 V2000
   -4.7970    1.6912    0.5626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9005    0.3325    0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1730   -0.1096   -0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2693    0.7260   -0.2183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3746   -1.4159   -0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3147   -2.3038   -0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0815   -1.8339   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8452   -0.5383    0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5183   -0.0702    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3038    1.1075    0.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4170   -0.9366    0.5726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -0.5093    0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2305   -0.5135    2.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4889   -0.0877    2.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3961    0.3588    1.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    0.3732    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9745    0.8144   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    0.7702   -1.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3124    1.2932   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4052    0.5034   -1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2467    0.5604   -2.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4721   -0.8871   -0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3991   -1.8997   -1.3079 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6237   -1.1446    0.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7569   -0.0651    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829   -0.0478   -1.3304 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5658    2.4619   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511    1.9715    1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2384    1.6976    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3510   -1.7944   -0.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4758   -3.3445   -0.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -2.5211   -0.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041   -0.8710    3.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605   -0.1016    3.6995 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3678    0.6745    2.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    1.3549    0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4020    2.3314   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3555    1.0545   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211   -0.1182   -2.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3747    1.5467   -2.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0934   -0.5070    1.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503   -0.9085   -1.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1309    0.9052   -1.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 16 25  2  0
 25 26  1  0
  8  2  1  0
 25 12  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  0
  6 31  1  0
  7 32  1  0
 13 33  1  0
 14 34  1  0
 15 35  1  0
 19 36  1  0
 19 37  1  0
 20 38  1  0
 21 39  1  0
 21 40  1  0
 24 41  1  0
 26 42  1  0
 26 43  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyloxy)phenyl]-4-oxobutanoate	Generator
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoate	Generator

Chemical Formula

C₁₇H₁₇N₃O₆

Average Molecular Weight

359.338

Monoisotopic Molecular Weight

359.111735279

IUPAC Name

2-amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyloxy)phenyl]-4-oxobutanoic acid

Traditional Name

2-amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyloxy)phenyl]-4-oxobutanoic acid

CAS Registry Number

Not Available

SMILES

NC(CC(=O)C1=C(N)C(OC(=O)C2=C(N)C(O)=CC=C2)=CC=C1)C(O)=O

InChI Identifier

InChI=1S/C17H17N3O6/c18-10(16(23)24)7-12(22)8-3-2-6-13(15(8)20)26-17(25)9-4-1-5-11(21)14(9)19/h1-6,10,21H,7,18-20H2,(H,23,24)

InChI Key

QGVRYNWEFHUDKD-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Depsides and depsidones

Sub Class

Not Available

Direct Parent

Depsides and depsidones

Alternative Parents

Substituents

Depside backbone
Alkyl-phenylketone
Butyrophenone
M-hydroxybenzoic acid ester
Alpha-amino acid
Benzoate ester
Alpha-amino acid or derivatives
Phenol ester
Aminobenzoic acid or derivatives
Benzoic acid or derivatives
Phenylketone
Phenoxy compound
O-aminophenol
Gamma-keto acid
Benzoyl
Aminophenol
Aryl ketone
Aryl alkyl ketone
Aniline or substituted anilines
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Beta-aminoketone
Benzenoid
Keto acid
Vinylogous amide
Amino acid or derivatives
Ketone
Carboxylic acid ester
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Primary aliphatic amine
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Amine
Carbonyl group
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)

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	-0.54	ALOGPS
logP	-0.73	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	0.45	ChemAxon
pKa (Strongest Basic)	8.88	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	178.96 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	93.53 m³·mol⁻¹	ChemAxon
Polarizability	35.48 Å³	ChemAxon
Number of Rings	2	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
AllCCS	[M+H]+	182.837	32859911
AllCCS	[M+H-H2O]+	179.97	32859911
AllCCS	[M+Na]+	186.243	32859911
AllCCS	[M+NH4]+	185.484	32859911
AllCCS	[M-H]-	181.004	32859911
AllCCS	[M+Na-2H]-	181.013	32859911
AllCCS	[M+HCOO]-	181.162	32859911
DeepCCS	[M+H]+	180.347	30932474
DeepCCS	[M-H]-	177.99	30932474
DeepCCS	[M-2H]-	212.326	30932474
DeepCCS	[M+Na]+	188.492	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid	NC(CC(=O)C1=C(N)C(OC(=O)C2=C(N)C(O)=CC=C2)=CC=C1)C(O)=O	4593.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid	NC(CC(=O)C1=C(N)C(OC(=O)C2=C(N)C(O)=CC=C2)=CC=C1)C(O)=O	3282.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid	NC(CC(=O)C1=C(N)C(OC(=O)C2=C(N)C(O)=CC=C2)=CC=C1)C(O)=O	3621.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N)C(=O)O[Si](C)(C)C	3407.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N)C(=O)O[Si](C)(C)C	3289.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N)C(=O)O[Si](C)(C)C	5093.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #10	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N	3483.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #10	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N	3331.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #10	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N	4873.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3506.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3321.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4864.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3549.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3410.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N)N([Si](C)(C)C)[Si](C)(C)C	5295.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #13	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C	3583.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #13	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C	3344.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #13	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C	4766.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3401.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3297.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	5129.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3411.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3275.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	5120.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N[Si](C)(C)C	3653.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N[Si](C)(C)C	3443.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N[Si](C)(C)C	4727.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #17	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O	3478.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #17	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O	3398.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #17	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O	4903.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #18	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3649.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #18	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3480.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #18	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N	5006.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #19	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3485.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #19	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3361.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #19	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4899.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #2	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N	3541.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #2	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N	3272.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #2	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N	5065.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #20	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3684.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #20	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3485.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #20	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4998.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3557.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3417.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4905.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3537.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3406.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	4908.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3544.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3279.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	5053.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #4	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N	3589.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #4	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N	3369.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #4	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N	4822.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #5	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3570.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #5	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3365.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #5	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	4810.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #6	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N)=C1N	3550.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #6	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N)=C1N	3446.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #6	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N)=C1N	5196.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3676.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3376.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4821.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #8	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3410.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #8	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3313.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #8	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	5135.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #9	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3465.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #9	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3317.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TMS,isomer #9	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	5148.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #1	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N	3521.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #1	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N	3316.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #1	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N	4536.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #10	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3444.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #10	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3300.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #10	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4533.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3641.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3455.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4629.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #12	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3526.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #12	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3323.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #12	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	4521.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #13	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3569.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #13	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3337.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #13	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4514.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #14	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C	3589.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #14	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C	3371.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #14	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N[Si](C)(C)C	4321.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #15	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O[Si](C)(C)C	3407.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #15	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O[Si](C)(C)C	3322.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #15	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O[Si](C)(C)C	4567.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3586.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3440.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N	4709.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #17	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3405.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #17	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3281.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #17	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4554.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #18	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3599.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #18	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3416.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #18	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4697.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #19	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3499.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #19	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3318.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #19	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	4448.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #2	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3520.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #2	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3313.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #2	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4525.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #20	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3470.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #20	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3303.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #20	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	4448.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3580.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3419.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	4367.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N[Si](C)(C)C	3718.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N[Si](C)(C)C	3506.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N[Si](C)(C)C	4472.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #23	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3530.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #23	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3398.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #23	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	4359.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #24	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N)[Si](C)(C)C	3621.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #24	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N)[Si](C)(C)C	3494.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #24	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N)[Si](C)(C)C	4680.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #25	C[Si](C)(C)N(C1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3637.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #25	C[Si](C)(C)N(C1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3457.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #25	C[Si](C)(C)N(C1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4666.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #26	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3499.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #26	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3414.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #26	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4560.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3544.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3412.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N)N([Si](C)(C)C)[Si](C)(C)C	4976.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #4	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3634.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #4	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3311.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #4	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	4427.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3451.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3227.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	4799.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3419.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3210.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	4792.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3678.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3401.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	4341.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #8	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O	3488.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #8	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O	3321.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #8	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O	4539.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #9	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3655.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #9	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3462.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TMS,isomer #9	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N	4640.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #1	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3648.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #1	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3367.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #1	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4046.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #10	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3767.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #10	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3481.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #10	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4191.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #11	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3633.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #11	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	3425.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #11	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C	4402.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #12	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3604.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #12	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	3404.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #12	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N	4398.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #13	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3531.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #13	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3300.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #13	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	4277.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #14	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3535.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #14	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3344.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #14	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4039.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #15	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N[Si](C)(C)C	3681.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #15	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N[Si](C)(C)C	3461.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #15	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N[Si](C)(C)C	4172.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3496.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3330.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #16	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	4027.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3602.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3443.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)N([Si](C)(C)C)[Si](C)(C)C	4449.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3595.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3388.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4434.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3457.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3300.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	4204.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #2	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O[Si](C)(C)C	3479.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #2	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O[Si](C)(C)C	3269.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #2	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)C(=O)O[Si](C)(C)C	4299.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #20	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3548.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #20	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3396.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #20	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4086.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3694.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3497.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #21	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4196.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3687.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3485.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #22	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	4186.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #3	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3673.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #3	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N	3435.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #3	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N	4434.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #4	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3441.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #4	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3244.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #4	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4297.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #5	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3670.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #5	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3426.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #5	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4425.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #6	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3520.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #6	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3228.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #6	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	4195.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3564.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	3252.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #7	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C	4186.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #8	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3580.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #8	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3324.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #8	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	4078.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #9	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3626.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #9	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	3344.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,5TMS,isomer #9	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O	4076.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #1	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3571.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #1	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3268.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #1	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3789.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #10	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3519.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #10	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3326.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #10	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3768.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3702.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3436.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #11	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3913.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #12	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3681.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #12	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3424.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #12	C[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3897.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #13	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3748.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #13	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3486.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #13	C[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3927.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #2	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3619.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #2	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3289.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #2	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3784.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3793.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3461.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3938.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3675.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)N([Si](C)(C)C)[Si](C)(C)C	3383.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N)N([Si](C)(C)C)[Si](C)(C)C	4237.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3648.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3357.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4236.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3537.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3198.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3975.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #7	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3613.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #7	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3300.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #7	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3809.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #8	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3737.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #8	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3417.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #8	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3934.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #9	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3766.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #9	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3427.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,6TMS,isomer #9	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3929.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3620.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3243.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #1	C[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3574.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #2	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3772.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #2	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3378.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #2	C[Si](C)(C)NC1=C(O[Si](C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3708.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3803.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3390.0	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #3	C[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)C=CC=C1C(=O)CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3699.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #4	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3814.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #4	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3392.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #4	C[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C	3705.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3741.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3432.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,7TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C)[Si](C)(C)C)=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3683.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N)C(=O)O[Si](C)(C)C(C)(C)C	4143.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N)C(=O)O[Si](C)(C)C(C)(C)C	3885.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N)C(=O)O[Si](C)(C)C(C)(C)C	5080.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	4188.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	3904.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	4866.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4180.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3881.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4859.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4242.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3946.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5189.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4258.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	3893.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4776.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4127.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	3858.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	5057.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4106.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3809.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5050.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N[Si](C)(C)C(C)(C)C	4346.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N[Si](C)(C)C(C)(C)C	3965.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N[Si](C)(C)C(C)(C)C	4743.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O	4184.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O	3939.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O	4866.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4382.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	3971.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4933.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4143.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3885.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4864.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	4207.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	3853.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	5046.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4367.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3959.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4925.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4219.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3924.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4849.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4223.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3895.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4854.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	4210.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	3860.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	5038.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N	4299.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N	3938.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N	4857.1	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4301.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	3929.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4849.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N)=C1N	4340.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N)=C1N	3971.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N)=C1N	5138.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4344.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3925.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4841.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4175.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	3853.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	5083.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4193.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3871.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=CC(C(=O)OC2=CC=CC(C(=O)CC(N)C(=O)O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5093.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	4340.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	4000.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N	4678.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4324.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3979.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4669.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4568.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4071.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4730.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4364.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3960.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4654.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4394.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	3988.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O	4652.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4368.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4032.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4501.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O[Si](C)(C)C(C)(C)C	4256.7	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O[Si](C)(C)C(C)(C)C	4032.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O[Si](C)(C)C(C)(C)C	4669.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(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)=C1N	4486.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(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)=C1N	4094.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(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)=C1N	4757.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4209.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3957.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4663.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(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	4452.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(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	4060.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(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	4753.6	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	4309.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	3993.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	4582.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4345.4	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3995.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4674.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4295.3	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3947.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4582.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4365.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4065.7	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4522.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4583.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4092.6	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N[Si](C)(C)C(C)(C)C	4586.3	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4344.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4028.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4517.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)[Si](C)(C)C(C)(C)C	4500.1	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)[Si](C)(C)C(C)(C)C	4119.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)[Si](C)(C)C(C)(C)C	4733.2	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(C1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4459.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(C1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4050.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(C1=C(OC(=O)C2=CC=CC(O)=C2N)C=CC=C1C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4726.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4350.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4024.8	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N(C1=C(O)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(N)C(=O)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4651.8	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4474.6	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4075.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5011.0	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	4403.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	3978.2	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N)C(=O)O[Si](C)(C)C(C)(C)C	4595.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4292.2	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	3927.9	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4875.7	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4259.9	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3898.1	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4870.4	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4486.5	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4053.4	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)O	4542.9	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O	4362.0	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O	4009.3	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC(=O)C1=CC=CC(OC(=O)C2=CC=CC(O[Si](C)(C)C(C)(C)C)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N)C(=O)O	4673.5	Standard polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4575.8	Semi standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4085.5	Standard non polar	33892256
(2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=C(O[Si](C)(C)C(C)(C)C)C=CC=C1C(=O)OC1=CC=CC(C(=O)CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N	4735.9	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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-1911000000-953d5799fb7084a75cc2	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic 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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	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

Not Available

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-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid (HMDB0260146)

MOL for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

3D MOL for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

3D SDF for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

3D-SDF for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

PDB for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

3D PDB for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

SMILES for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

INCHI for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

Structure for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

3D Structure for HMDB0260146 ((2S)-2-Amino-4-[2-amino-3-(2-amino-3-hydroxybenzoyl)oxyphenyl]-4-oxobutanoic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra