Hmdb loader

Showing metabocard for N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester (HMDB0252819)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:54:34 UTC
Update Date2021-09-26 23:05:40 UTC
HMDB IDHMDB0252819
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester
Description2-amino-4-({1-[(2-ethoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)butanoic acid belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on 2-amino-4-({1-[(2-ethoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)butanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). N-(n-l-gamma-glutamyl-l-cysteinyl)glycine monoethyl ester is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester 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
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)


  Mrv1652309112112542D          

 22 21  0  0  0  0            999 V2000
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    5.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    3.0493    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    5.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
Download

3D MOL for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)

HMDB0252821
     RDKit          3D
Glutathione monoethyl ester
 43 42  0  0  0  0  0  0  0  0999 V2000
    6.6476   -0.5131   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1224    0.0618   -1.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3886    1.2267   -1.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2953    1.1009   -0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0075   -0.0420   -0.1479 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    2.3120   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    1.9522    0.6656 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    1.0301    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765    0.5097   -0.9109 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2982    0.6851    1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204    0.0619    2.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -0.4073    3.6268 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6096   -0.2648    0.5761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9568    0.0871    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3753    1.2102    0.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8843   -0.8808   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2835   -0.2969   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1326   -1.3973   -1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0891   -2.5298   -0.1392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4731   -0.8508   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4812   -1.3508   -0.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6393    0.2485   -2.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2687   -0.0033    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7540   -0.4079   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4341   -1.6045   -0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9540    0.3173   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4113   -0.6584   -2.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    3.0038    0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679    2.7997   -1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548    2.3755    1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291    1.6367    1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5526   -0.7797    2.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5981    0.7975    2.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    0.0684    3.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -1.1973    0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091   -1.8000    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956   -1.2316   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -0.1287    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3127    0.6371   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6286   -1.6103   -1.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9946   -2.1893    0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9220   -3.1513   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6827    1.1736   -1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 16 36  1  0
 16 37  1  0
 17 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 19 42  1  0
 22 43  1  0
M  END
Download

3D SDF for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)


  Mrv1652309112112542D          

 22 21  0  0  0  0            999 V2000
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    5.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    3.0493    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    5.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252819

> <DATABASE_NAME>
hmdb

> <SMILES>
CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)

> <INCHI_KEY>
JKRODHBGNBKZLE-UHFFFAOYSA-N

> <FORMULA>
C12H21N3O6S

> <MOLECULAR_WEIGHT>
335.38

> <EXACT_MASS>
335.115106582

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.751907530606516

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

> <ALOGPS_LOGP>
-2.31

> <JCHEM_LOGP>
-4.284953554017899

> <ALOGPS_LOGS>
-2.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.046661395152965

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9434401962307803

> <JCHEM_PKA_STRONGEST_BASIC>
9.223220960275986

> <JCHEM_POLAR_SURFACE_AREA>
147.82

> <JCHEM_REFRACTIVITY>
78.6326

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.64e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-({1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)

HMDB0252821
     RDKit          3D
Glutathione monoethyl ester
 43 42  0  0  0  0  0  0  0  0999 V2000
    6.6476   -0.5131   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1224    0.0618   -1.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3886    1.2267   -1.4182 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2953    1.1009   -0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0075   -0.0420   -0.1479 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    2.3120   -0.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4050    1.9522    0.6656 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4039    1.0301    0.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765    0.5097   -0.9109 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2982    0.6851    1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204    0.0619    2.4156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -0.4073    3.6268 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6096   -0.2648    0.5761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9568    0.0871    0.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3753    1.2102    0.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8843   -0.8808   -0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2835   -0.2969   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1326   -1.3973   -1.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0891   -2.5298   -0.1392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4731   -0.8508   -1.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4812   -1.3508   -0.6669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6393    0.2485   -2.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2687   -0.0033    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7540   -0.4079   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4341   -1.6045   -0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9540    0.3173   -2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4113   -0.6584   -2.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2132    3.0038    0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0679    2.7997   -1.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3548    2.3755    1.6024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291    1.6367    1.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5526   -0.7797    2.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5981    0.7975    2.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    0.0684    3.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -1.1973    0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091   -1.8000    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956   -1.2316   -1.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7335   -0.1287    0.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3127    0.6371   -0.9293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6286   -1.6103   -1.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9946   -2.1893    0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9220   -3.1513   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6827    1.1736   -1.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 13 35  1  0
 16 36  1  0
 16 37  1  0
 17 38  1  0
 17 39  1  0
 18 40  1  0
 19 41  1  0
 19 42  1  0
 22 43  1  0
M  END
Download

PDB for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      12.526   8.772   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.860   8.002   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      15.194   8.772   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      16.527   8.002   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      16.527   6.462   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      17.861   8.772   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      19.195   8.002   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      20.528   8.772   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      20.528  10.312   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      21.862   8.002   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      21.862   6.462   0.000  0.00  0.00           C+0
HETATM   12  S   UNK     0      23.196   5.692   0.000  0.00  0.00           S+0
HETATM   13  N   UNK     0      23.196   8.772   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      24.529   8.002   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      24.529   6.462   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      25.863   8.772   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      27.197   8.002   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      28.530   8.772   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      29.864   8.002   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      31.198   8.772   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      29.864   6.462   0.000  0.00  0.00           O+0
HETATM   22  N   UNK     0      28.530  10.312   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END
Download

3D PDB for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)

COMPND    HMDB0252821
HETATM    1  C1  UNL     1       6.648  -0.513  -0.442  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.122   0.062  -1.743  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.389   1.227  -1.418  1.00  0.00           O  
HETATM    4  C3  UNL     1       4.295   1.101  -0.580  1.00  0.00           C  
HETATM    5  O2  UNL     1       4.008  -0.042  -0.148  1.00  0.00           O  
HETATM    6  C4  UNL     1       3.511   2.312  -0.227  1.00  0.00           C  
HETATM    7  N1  UNL     1       2.405   1.952   0.666  1.00  0.00           N  
HETATM    8  C5  UNL     1       1.404   1.030   0.257  1.00  0.00           C  
HETATM    9  O3  UNL     1       1.476   0.510  -0.911  1.00  0.00           O  
HETATM   10  C6  UNL     1       0.298   0.685   1.179  1.00  0.00           C  
HETATM   11  C7  UNL     1       0.920   0.062   2.416  1.00  0.00           C  
HETATM   12  S1  UNL     1      -0.325  -0.407   3.627  1.00  0.00           S  
HETATM   13  N2  UNL     1      -0.610  -0.265   0.576  1.00  0.00           N  
HETATM   14  C8  UNL     1      -1.957   0.087   0.374  1.00  0.00           C  
HETATM   15  O4  UNL     1      -2.375   1.210   0.710  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.884  -0.881  -0.240  1.00  0.00           C  
HETATM   17  C10 UNL     1      -4.283  -0.297  -0.364  1.00  0.00           C  
HETATM   18  C11 UNL     1      -5.133  -1.397  -1.012  1.00  0.00           C  
HETATM   19  N3  UNL     1      -5.089  -2.530  -0.139  1.00  0.00           N  
HETATM   20  C12 UNL     1      -6.473  -0.851  -1.219  1.00  0.00           C  
HETATM   21  O5  UNL     1      -7.481  -1.351  -0.667  1.00  0.00           O  
HETATM   22  O6  UNL     1      -6.639   0.249  -2.045  1.00  0.00           O  
HETATM   23  H1  UNL     1       6.269  -0.003   0.445  1.00  0.00           H  
HETATM   24  H2  UNL     1       7.754  -0.408  -0.432  1.00  0.00           H  
HETATM   25  H3  UNL     1       6.434  -1.604  -0.420  1.00  0.00           H  
HETATM   26  H4  UNL     1       6.954   0.317  -2.431  1.00  0.00           H  
HETATM   27  H5  UNL     1       5.411  -0.658  -2.202  1.00  0.00           H  
HETATM   28  H6  UNL     1       4.213   3.004   0.280  1.00  0.00           H  
HETATM   29  H7  UNL     1       3.068   2.800  -1.104  1.00  0.00           H  
HETATM   30  H8  UNL     1       2.355   2.375   1.602  1.00  0.00           H  
HETATM   31  H9  UNL     1      -0.229   1.637   1.420  1.00  0.00           H  
HETATM   32  H10 UNL     1       1.553  -0.780   2.083  1.00  0.00           H  
HETATM   33  H11 UNL     1       1.598   0.797   2.899  1.00  0.00           H  
HETATM   34  H12 UNL     1      -1.597   0.068   3.320  1.00  0.00           H  
HETATM   35  H13 UNL     1      -0.231  -1.197   0.305  1.00  0.00           H  
HETATM   36  H14 UNL     1      -3.009  -1.800   0.399  1.00  0.00           H  
HETATM   37  H15 UNL     1      -2.496  -1.232  -1.196  1.00  0.00           H  
HETATM   38  H16 UNL     1      -4.733  -0.129   0.631  1.00  0.00           H  
HETATM   39  H17 UNL     1      -4.313   0.637  -0.929  1.00  0.00           H  
HETATM   40  H18 UNL     1      -4.629  -1.610  -1.990  1.00  0.00           H  
HETATM   41  H19 UNL     1      -4.995  -2.189   0.849  1.00  0.00           H  
HETATM   42  H20 UNL     1      -5.922  -3.151  -0.216  1.00  0.00           H  
HETATM   43  H21 UNL     1      -6.683   1.174  -1.612  1.00  0.00           H  
CONECT    1    2   23   24   25
CONECT    2    3   26   27
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7   28   29
CONECT    7    8   30
CONECT    8    9    9   10
CONECT   10   11   13   31
CONECT   11   12   32   33
CONECT   12   34
CONECT   13   14   35
CONECT   14   15   15   16
CONECT   16   17   36   37
CONECT   17   18   38   39
CONECT   18   19   20   40
CONECT   19   41   42
CONECT   20   21   21   22
CONECT   22   43
END
Download

SMILES for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)

CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O
Download

INCHI for HMDB0252819 (N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester)

InChI=1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-Amino-4-({1-[(2-ethoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)butanoateGenerator
2-Amino-4-({1-[(2-ethoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulphanylethyl}-C-hydroxycarbonimidoyl)butanoateGenerator
2-Amino-4-({1-[(2-ethoxy-2-oxoethyl)-C-hydroxycarbonimidoyl]-2-sulphanylethyl}-C-hydroxycarbonimidoyl)butanoic acidGenerator
N-(N-L-g-Glutamyl-L-cysteinyl)glycine monoethyl esterGenerator
N-(N-L-Γ-glutamyl-L-cysteinyl)glycine monoethyl esterGenerator
Chemical FormulaC12H21N3O6S
Average Molecular Weight335.38
Monoisotopic Molecular Weight335.115106582
IUPAC Name2-amino-4-({1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid
Traditional Name2-amino-4-({1-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-sulfanylethyl}carbamoyl)butanoic acid
CAS Registry NumberNot Available
SMILES
CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O
InChI Identifier
InChI=1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)
InChI KeyJKRODHBGNBKZLE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Glutamine or derivatives
  • Alpha-amino acid ester
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Secondary carboxylic acid amide
  • Amino acid
  • Amino acid or derivatives
  • Carboxamide group
  • Carboxylic acid ester
  • Alkylthiol
  • Carboxylic acid
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary aliphatic amine
  • Carbonyl group
  • Organic nitrogen compound
  • Amine
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.3ALOGPS
logP-4.3ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)1.94ChemAxon
pKa (Strongest Basic)9.22ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area147.82 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity78.63 m³·mol⁻¹ChemAxon
Polarizability32.75 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+178.69930932474
DeepCCS[M-H]-176.34130932474
DeepCCS[M-2H]-209.22730932474
DeepCCS[M+Na]+184.79230932474
AllCCS[M+H]+174.332859911
AllCCS[M+H-H2O]+171.732859911
AllCCS[M+NH4]+176.632859911
AllCCS[M+Na]+177.332859911
AllCCS[M-H]-174.232859911
AllCCS[M+Na-2H]-175.032859911
AllCCS[M+HCOO]-175.932859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #1CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C2814.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #1CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C2594.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #1CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C4630.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O2918.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O2791.3Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O5505.8Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #3CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O2895.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #3CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O2595.5Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #3CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O4458.2Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C2878.5Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C2590.5Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C4832.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C2814.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C2656.3Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C4820.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C2930.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C2806.3Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C4896.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #10CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3057.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #10CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2730.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #10CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4188.3Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2840.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2712.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C4435.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #2CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2874.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #2CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2680.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #2CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C3991.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #3CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2828.7Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #3CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2667.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #3CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4284.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #4CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2797.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #4CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2729.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #4CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4260.6Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #5CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O3005.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #5CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O2821.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #5CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O4663.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #6CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C2919.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #6CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C2842.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #6CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C5018.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #7CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C2888.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #7CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C2880.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #7CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C5065.3Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #8CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2930.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #8CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2667.5Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #8CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4073.8Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #9CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2875.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #9CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2738.9Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TMS,isomer #9CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4067.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2958.5Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C2850.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C4067.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3127.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2931.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4205.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #11CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2899.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #11CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2923.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #11CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C4639.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #12CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2877.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #12CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2805.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #12CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C3805.8Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #13CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3046.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #13CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2802.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #13CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3889.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #14CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3030.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #14CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2874.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #14CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3877.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2858.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2845.9Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4484.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2850.5Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2882.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4507.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2840.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2744.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3750.2Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2807.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2824.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3734.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #6CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3021.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #6CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2806.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #6CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3836.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #7CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2783.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #7CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2797.3Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #7CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4002.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2958.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2872.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4101.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #9CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2942.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #9CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2912.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TMS,isomer #9CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4142.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2892.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2903.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3617.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3071.3Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3021.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3822.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3036.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2945.5Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3699.3Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2868.7Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2937.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3637.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3068.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2935.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3771.2Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #4CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2831.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #4CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2928.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #4CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4184.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #5CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2777.7Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #5CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2887.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #5CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3572.2Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #6CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2969.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #6CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2856.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #6CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3663.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #7CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2986.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #7CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2941.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #7CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3646.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2917.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C2957.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C3741.6Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #9CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3107.7Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #9CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2979.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TMS,isomer #9CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3790.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2861.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2996.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3304.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3044.3Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2992.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3406.3Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3040.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3026.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3425.3Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3004.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3011.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #4CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3513.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #5CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3092.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #5CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3073.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,5TMS,isomer #5CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3502.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,6TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3058.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,6TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3093.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,6TMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3191.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C3070.3Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C2821.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C4612.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O3149.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O3017.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O5340.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O3129.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O2811.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O4424.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3118.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2801.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C4757.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3090.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C2856.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,1TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C4731.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C3381.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C3238.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C4688.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3461.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3089.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4141.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3311.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3090.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4374.8Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3322.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3073.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4044.3Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #3CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3313.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #3CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3066.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #3CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4294.6Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #4CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3282.3Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #4CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3113.1Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #4CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4262.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O3448.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O3221.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O4411.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #6CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3422.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #6CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3246.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #6CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C4786.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #7CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3391.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #7CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3271.9Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #7CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C4797.0Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3388.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3052.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4100.8Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #9CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3364.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #9CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3110.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,2TBDMS,isomer #9CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4083.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3617.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3403.3Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #1CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4015.8Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3778.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3442.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4114.6Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3608.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3455.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4477.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #12CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3557.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #12CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3333.9Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #12CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3973.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #13CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3697.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #13CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3304.9Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #13CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4011.3Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #14CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3688.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #14CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3369.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #14CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3992.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3601.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3406.5Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #2CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4361.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3591.3Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3437.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4364.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3534.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3276.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3928.2Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3503.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3348.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #5CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3903.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #6CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3658.9Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #6CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3330.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #6CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3965.8Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #7CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3496.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #7CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3327.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #7CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4123.6Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3676.6Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3410.1Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4065.1Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #9CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3656.4Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #9CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3436.5Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,3TBDMS,isomer #9CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4087.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3807.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3569.6Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #1CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3815.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3992.3Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3642.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #10CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3923.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C3894.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C3586.8Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #11CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C3922.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3799.3Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3594.4Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #2CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3826.9Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3971.2Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3601.3Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #3CCOC(=O)CNC(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3882.5Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3794.7Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3607.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #4CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4179.6Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #5CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3695.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #5CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3551.0Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #5CCOC(=O)CN(C(=O)C(CS)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3847.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #6CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(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)[Si](C)(C)C(C)(C)C3891.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #6CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(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)[Si](C)(C)C(C)(C)C3523.1Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #6CCOC(=O)CN(C(=O)C(CS)NC(=O)CCC(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)[Si](C)(C)C(C)(C)C3893.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #7CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C3878.1Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #7CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C3594.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #7CCOC(=O)CNC(=O)C(CS)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C3870.4Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3834.8Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3612.2Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #8CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3913.7Standard polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #9CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3999.0Semi standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #9CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3618.7Standard non polar33892256
N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester,4TBDMS,isomer #9CCOC(=O)CN(C(=O)C(CS[Si](C)(C)C(C)(C)C)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3903.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester GC-MS (Non-derivatized) - 70eV, Positivesplash10-08gi-3290000000-fd423d42623ad776a5612021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester 10V, Positive-QTOFsplash10-001u-0797000000-a66b32d7d8303e4f14f62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester 20V, Positive-QTOFsplash10-001l-1931000000-798bcbc8fd3fbd54def02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester 40V, Positive-QTOFsplash10-001i-4900000000-374180dca9f69afde0572021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester 10V, Negative-QTOFsplash10-0f89-1249000000-2508ef3ce554bb3147322021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester 20V, Negative-QTOFsplash10-0pi0-1941000000-4d84e2b51ead79cfb4a02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-(N-L-gamma-Glutamyl-L-cysteinyl)glycine monoethyl ester 40V, Negative-QTOFsplash10-00nf-4900000000-f355c4df3b46daf2fba32021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID317991
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound358180
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]