Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:30:09 UTC

Update Date

2022-03-07 02:52:09 UTC

HMDB ID

HMDB0029394

Secondary Accession Numbers

HMDB29394

Metabolite Identification

Common Name

gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine

Description

gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 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. gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine has been detected, but not quantified in, several different foods, such as garlics (Allium sativum), garden onion (var.), welsh onions (Allium fistulosum), onion-family vegetables, and green onion. This could make gamma-L-glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine.

Structure

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

  Mrv0541 02241212062D          

 26 25  0  0  0  0            999 V2000
    3.3433   -0.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5177   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223    0.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886    0.5775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711    1.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141    0.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537    1.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968    2.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9398    1.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.0729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3433    1.9811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002    2.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177    3.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -1.4031    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351   -1.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956   -1.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711   -1.4857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141   -1.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968   -2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572   -3.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -3.1369    0.0000 O   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
  2 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  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  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END

HMDB0029394
     RDKit          3D
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine
 49 48  0  0  0  0  0  0  0  0999 V2000
   -3.5968   -3.0128    1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2956   -2.4929    0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9653   -1.0430    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2047   -0.7779   -0.2305 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311    0.9731   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717    1.2925   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    0.9497    0.3417 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    0.0227    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140   -0.5257   -0.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2924   -0.3669    1.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -1.3753    0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291   -1.7956    2.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -0.7111    2.5798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1835   -2.8001    1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511   -3.8382    0.8938 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5566   -2.6016    1.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639    2.7385   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    3.4477   -0.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    3.3515   -2.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9431    4.7587   -2.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    5.0840   -2.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    4.1703   -2.7635 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997    6.3926   -3.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603   -3.3616   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3520   -4.3810   -0.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101   -3.0672   -2.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900   -2.2044    2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7248   -3.6383    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2788   -3.6741    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3940   -2.5214    0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2556   -0.4750    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5283   -0.7275   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    1.6108    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.2292   -1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512    0.7203   -1.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    1.4067    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082    0.5027    1.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366   -0.8123    2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.9036    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -2.2425    0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559   -2.2802    2.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -0.2244    3.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -1.1081    3.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1525   -3.3354    1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7011    2.7779   -2.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119    5.3992   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5383    5.0373   -3.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    7.1330   -2.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5573   -2.7002   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 13 42  1  0
 13 43  1  0
 16 44  1  0
 19 45  1  0
 20 46  1  0
 20 47  1  0
 23 48  1  0
 26 49  1  0
M  END

  Mrv0541 02241212062D          

 26 25  0  0  0  0            999 V2000
    3.3433   -0.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5177   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0223    0.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886    0.5775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711    1.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141    0.6601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537    1.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968    2.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9398    1.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.0729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3433    1.9811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002    2.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5177    3.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2793   -0.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -0.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -0.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -0.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490   -1.4031    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351   -1.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956   -1.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3711   -1.4857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141   -1.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968   -2.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8572   -3.1369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4537   -3.1369    0.0000 O   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
  2 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 22  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  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029394

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)

> <INCHI_KEY>
JQWABENXVMJJMW-UHFFFAOYSA-N

> <FORMULA>
C14H23N3O8S

> <MOLECULAR_WEIGHT>
393.413

> <EXACT_MASS>
393.120585417

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
38.15057106557853

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({2-[(2-carboxy-2-methylethyl)sulfanyl]-1-[(carboxymethyl)carbamoyl]ethyl}carbamoyl)butanoic acid

> <ALOGPS_LOGP>
-2.89

> <JCHEM_LOGP>
-4.370628509649578

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.5716627039939772

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8089246226849447

> <JCHEM_PKA_STRONGEST_BASIC>
9.311454271419883

> <JCHEM_POLAR_SURFACE_AREA>
196.11999999999998

> <JCHEM_REFRACTIVITY>
89.1736

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.12e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-({2-[(2-carboxy-2-methylethyl)sulfanyl]-1-(carboxymethylcarbamoyl)ethyl}carbamoyl)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029394
     RDKit          3D
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine
 49 48  0  0  0  0  0  0  0  0999 V2000
   -3.5968   -3.0128    1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2956   -2.4929    0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9653   -1.0430    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2047   -0.7779   -0.2305 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311    0.9731   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717    1.2925   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    0.9497    0.3417 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    0.0227    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140   -0.5257   -0.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2924   -0.3669    1.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -1.3753    0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291   -1.7956    2.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -0.7111    2.5798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1835   -2.8001    1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511   -3.8382    0.8938 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5566   -2.6016    1.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639    2.7385   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    3.4477   -0.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    3.3515   -2.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9431    4.7587   -2.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    5.0840   -2.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    4.1703   -2.7635 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997    6.3926   -3.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603   -3.3616   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3520   -4.3810   -0.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101   -3.0672   -2.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900   -2.2044    2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7248   -3.6383    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2788   -3.6741    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3940   -2.5214    0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2556   -0.4750    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5283   -0.7275   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    1.6108    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.2292   -1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512    0.7203   -1.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    1.4067    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082    0.5027    1.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366   -0.8123    2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.9036    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -2.2425    0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559   -2.2802    2.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -0.2244    3.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -1.1081    3.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1525   -3.3354    1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7011    2.7779   -2.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119    5.3992   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5383    5.0373   -3.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    7.1330   -2.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5573   -2.7002   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 13 42  1  0
 13 43  1  0
 16 44  1  0
 19 45  1  0
 20 46  1  0
 20 47  1  0
 23 48  1  0
 26 49  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       6.241  -0.616   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.700  -1.078   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       3.775   0.153   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       0.539   1.078   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -0.693   2.003   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.080   1.232   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.847   3.544   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.234   4.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.621   3.544   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      -4.083   2.003   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0      -6.241   3.698   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -4.854   4.314   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.700   5.856   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.388  -0.924   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -0.847  -1.232   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.385  -0.462   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.771  -1.078   0.000  0.00  0.00           C+0
HETATM   18  S   UNK     0       1.771  -2.619   0.000  0.00  0.00           S+0
HETATM   19  C   UNK     0       3.159  -3.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.546  -2.619   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.778  -3.390   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      -0.693  -2.773   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      -2.080  -3.544   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.234  -5.085   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -3.467  -5.856   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -0.847  -5.856   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2                                                            
CONECT    4    5   16                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9                                                            
CONECT   11   12                                                            
CONECT   12    9   11   13                                                  
CONECT   13   12                                                            
CONECT   14   15                                                            
CONECT   15   14   16   22                                                  
CONECT   16    4   15   17                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20    2   19   21                                                  
CONECT   21   20                                                            
CONECT   22   15   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   50    0
END

COMPND    HMDB0029394
HETATM    1  C1  UNL     1      -3.597  -3.013   1.534  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.296  -2.493   0.310  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.965  -1.043   0.035  1.00  0.00           C  
HETATM    4  S1  UNL     1      -2.205  -0.778  -0.231  1.00  0.00           S  
HETATM    5  C4  UNL     1      -1.931   0.973  -0.546  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.472   1.292  -0.783  1.00  0.00           C  
HETATM    7  N1  UNL     1       0.363   0.950   0.342  1.00  0.00           N  
HETATM    8  C6  UNL     1       1.406   0.023   0.229  1.00  0.00           C  
HETATM    9  O1  UNL     1       1.614  -0.526  -0.902  1.00  0.00           O  
HETATM   10  C7  UNL     1       2.292  -0.367   1.345  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.311  -1.375   0.918  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.229  -1.796   2.024  1.00  0.00           C  
HETATM   13  N2  UNL     1       4.979  -0.711   2.580  1.00  0.00           N  
HETATM   14  C10 UNL     1       5.183  -2.800   1.438  1.00  0.00           C  
HETATM   15  O2  UNL     1       4.751  -3.838   0.894  1.00  0.00           O  
HETATM   16  O3  UNL     1       6.557  -2.602   1.487  1.00  0.00           O  
HETATM   17  C11 UNL     1      -0.364   2.739  -1.107  1.00  0.00           C  
HETATM   18  O4  UNL     1       0.401   3.448  -0.399  1.00  0.00           O  
HETATM   19  N3  UNL     1      -1.068   3.351  -2.157  1.00  0.00           N  
HETATM   20  C12 UNL     1      -0.943   4.759  -2.448  1.00  0.00           C  
HETATM   21  C13 UNL     1       0.472   5.084  -2.775  1.00  0.00           C  
HETATM   22  O5  UNL     1       1.335   4.170  -2.763  1.00  0.00           O  
HETATM   23  O6  UNL     1       0.800   6.393  -3.086  1.00  0.00           O  
HETATM   24  C14 UNL     1      -4.060  -3.362  -0.843  1.00  0.00           C  
HETATM   25  O7  UNL     1      -3.352  -4.381  -0.714  1.00  0.00           O  
HETATM   26  O8  UNL     1      -4.610  -3.067  -2.065  1.00  0.00           O  
HETATM   27  H1  UNL     1      -3.290  -2.204   2.228  1.00  0.00           H  
HETATM   28  H2  UNL     1      -2.725  -3.638   1.260  1.00  0.00           H  
HETATM   29  H3  UNL     1      -4.279  -3.674   2.117  1.00  0.00           H  
HETATM   30  H4  UNL     1      -5.394  -2.521   0.532  1.00  0.00           H  
HETATM   31  H5  UNL     1      -4.256  -0.475   0.953  1.00  0.00           H  
HETATM   32  H6  UNL     1      -4.528  -0.728  -0.855  1.00  0.00           H  
HETATM   33  H7  UNL     1      -2.379   1.611   0.234  1.00  0.00           H  
HETATM   34  H8  UNL     1      -2.462   1.229  -1.494  1.00  0.00           H  
HETATM   35  H9  UNL     1      -0.151   0.720  -1.692  1.00  0.00           H  
HETATM   36  H10 UNL     1       0.180   1.407   1.259  1.00  0.00           H  
HETATM   37  H11 UNL     1       2.808   0.503   1.816  1.00  0.00           H  
HETATM   38  H12 UNL     1       1.637  -0.812   2.137  1.00  0.00           H  
HETATM   39  H13 UNL     1       3.961  -0.904   0.126  1.00  0.00           H  
HETATM   40  H14 UNL     1       2.825  -2.243   0.457  1.00  0.00           H  
HETATM   41  H15 UNL     1       3.656  -2.280   2.826  1.00  0.00           H  
HETATM   42  H16 UNL     1       4.402  -0.224   3.313  1.00  0.00           H  
HETATM   43  H17 UNL     1       5.800  -1.108   3.097  1.00  0.00           H  
HETATM   44  H18 UNL     1       7.152  -3.335   1.792  1.00  0.00           H  
HETATM   45  H19 UNL     1      -1.701   2.778  -2.747  1.00  0.00           H  
HETATM   46  H20 UNL     1      -1.312   5.399  -1.621  1.00  0.00           H  
HETATM   47  H21 UNL     1      -1.538   5.037  -3.338  1.00  0.00           H  
HETATM   48  H22 UNL     1       0.320   7.133  -2.627  1.00  0.00           H  
HETATM   49  H23 UNL     1      -5.557  -2.700  -2.091  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3   24   30
CONECT    3    4   31   32
CONECT    4    5
CONECT    5    6   33   34
CONECT    6    7   17   35
CONECT    7    8   36
CONECT    8    9    9   10
CONECT   10   11   37   38
CONECT   11   12   39   40
CONECT   12   13   14   41
CONECT   13   42   43
CONECT   14   15   15   16
CONECT   16   44
CONECT   17   18   18   19
CONECT   19   20   45
CONECT   20   21   46   47
CONECT   21   22   22   23
CONECT   23   48
CONECT   24   25   25   26
CONECT   26   49
END

HMDB0029394
     RDKit          3D
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine
 49 48  0  0  0  0  0  0  0  0999 V2000
   -3.5968   -3.0128    1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2956   -2.4929    0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9653   -1.0430    0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2047   -0.7779   -0.2305 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9311    0.9731   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4717    1.2925   -0.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3628    0.9497    0.3417 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064    0.0227    0.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6140   -0.5257   -0.9019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2924   -0.3669    1.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -1.3753    0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291   -1.7956    2.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791   -0.7111    2.5798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1835   -2.8001    1.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7511   -3.8382    0.8938 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5566   -2.6016    1.4867 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3639    2.7385   -1.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    3.4477   -0.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0679    3.3515   -2.1568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9431    4.7587   -2.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4721    5.0840   -2.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3351    4.1703   -2.7635 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7997    6.3926   -3.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603   -3.3616   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3520   -4.3810   -0.7138 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6101   -3.0672   -2.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2900   -2.2044    2.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7248   -3.6383    1.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2788   -3.6741    2.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3940   -2.5214    0.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2556   -0.4750    0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5283   -0.7275   -0.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3793    1.6108    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625    1.2292   -1.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512    0.7203   -1.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798    1.4067    1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082    0.5027    1.8156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366   -0.8123    2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9614   -0.9036    0.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254   -2.2425    0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559   -2.2802    2.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -0.2244    3.3133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -1.1081    3.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1525   -3.3354    1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7011    2.7779   -2.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3119    5.3992   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5383    5.0373   -3.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3201    7.1330   -2.6270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5573   -2.7002   -2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
  2 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  7 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 13 42  1  0
 13 43  1  0
 16 44  1  0
 19 45  1  0
 20 46  1  0
 20 47  1  0
 23 48  1  0
 26 49  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
g-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine	Generator
Γ-L-glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine	Generator
2-Amino-4-({2-[(2-carboxy-2-methylethyl)sulfanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoate	HMDB
2-Amino-4-({2-[(2-carboxy-2-methylethyl)sulphanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoate	HMDB
2-Amino-4-({2-[(2-carboxy-2-methylethyl)sulphanyl]-1-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid	HMDB

Chemical Formula

C₁₄H₂₃N₃O₈S

Average Molecular Weight

393.413

Monoisotopic Molecular Weight

393.120585417

IUPAC Name

2-amino-4-({2-[(2-carboxy-2-methylethyl)sulfanyl]-1-[(carboxymethyl)carbamoyl]ethyl}carbamoyl)butanoic acid

Traditional Name

2-amino-4-({2-[(2-carboxy-2-methylethyl)sulfanyl]-1-(carboxymethylcarbamoyl)ethyl}carbamoyl)butanoic acid

CAS Registry Number

6710-22-1

SMILES

CC(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C14H23N3O8S/c1-7(13(22)23)5-26-6-9(12(21)16-4-11(19)20)17-10(18)3-2-8(15)14(24)25/h7-9H,2-6,15H2,1H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)

InChI Key

JQWABENXVMJJMW-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.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Gamma-glutamyl alpha peptide
Glutamine or derivatives
N-acyl-alpha-amino acid
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
Tricarboxylic acid or derivatives
Fatty amide
Fatty acyl
N-acyl-amine
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Carboxylic acid
Thioether
Sulfenyl compound
Dialkylthioether
Organopnictogen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxygen compound
Organonitrogen compound
Organic nitrogen compound
Carbonyl group
Amine
Organic oxide
Organooxygen compound
Organosulfur compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0029394)
Cytoplasm (HMDB: HMDB0029394)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029394)

Source

Endogenous

Endogenous (HMDB: HMDB0029394)

Plant

Plant (HMDB: HMDB0029394)

Exogenous

Food

Food (HMDB: HMDB0029394)

Herb and spice

Herb

Garlic (FooDB: FOOD00008)
Welsh onion (FooDB: FOOD00241)

Vegetable

Onion-family vegetable

Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Exogenous (HMDB: HMDB0029394)

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
Water Solubility	2.12 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-4.4	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	1.81	ChemAxon
pKa (Strongest Basic)	9.31	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	196.12 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	89.17 m³·mol⁻¹	ChemAxon
Polarizability	38.15 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	188.182	31661259
DarkChem	[M-H]-	182.627	31661259
DeepCCS	[M+H]+	194.114	30932474
DeepCCS	[M-H]-	191.756	30932474
DeepCCS	[M-2H]-	225.023	30932474
DeepCCS	[M+Na]+	200.976	30932474
AllCCS	[M+H]+	185.8	32859911
AllCCS	[M+H-H2O]+	183.7	32859911
AllCCS	[M+NH4]+	187.8	32859911
AllCCS	[M+Na]+	188.3	32859911
AllCCS	[M-H]-	183.7	32859911
AllCCS	[M+Na-2H]-	184.3	32859911
AllCCS	[M+HCOO]-	185.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine	CC(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O	4600.1	Standard polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine	CC(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O	2603.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine	CC(CSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O	3696.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TMS,isomer #1	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	3319.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TMS,isomer #2	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	3330.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TMS,isomer #3	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	3320.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TMS,isomer #4	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)C(=O)O	3433.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TMS,isomer #5	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O	3324.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TMS,isomer #6	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	3389.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #1	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	3267.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	3379.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #11	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3262.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #12	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3337.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	3364.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #14	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	3531.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #15	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	3435.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #16	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O	3295.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #2	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	3278.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #3	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	3397.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #4	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3261.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #5	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	3330.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #6	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3270.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #7	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	3382.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O	3257.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TMS,isomer #9	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3320.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #1	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3223.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	3339.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3231.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #12	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3307.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3196.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #14	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3226.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #15	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	3274.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #16	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	3483.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #17	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3321.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #18	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O	3231.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #19	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3298.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #2	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	3291.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #20	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	3467.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #21	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3345.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #22	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3240.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #23	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	3288.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #24	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3440.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #25	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	3511.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #3	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3196.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #4	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3225.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #5	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	3308.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #6	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3216.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #7	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3265.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3276.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TMS,isomer #9	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O	3472.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #1	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3253.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #1	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3167.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3279.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3192.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3202.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3202.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #12	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3243.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #12	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3260.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3396.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3281.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #14	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	3450.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #14	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O	3267.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #15	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3227.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #15	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3221.6	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #16	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3420.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #16	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3240.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #17	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3239.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #17	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3197.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #18	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3191.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #18	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3227.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #19	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	3242.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #19	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O	3270.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #2	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3128.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #2	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3187.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #20	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3413.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #20	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3322.9	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #21	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3447.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #21	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3296.1	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #22	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3255.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #22	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3244.1	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #23	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3408.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #23	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3282.1	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #24	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3456.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #24	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3271.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #25	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3445.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #25	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3350.9	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #3	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3158.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #3	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3158.6	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #4	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3219.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #4	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3238.9	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #5	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	3396.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #5	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O	3241.6	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #6	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3245.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #6	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3215.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #7	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3189.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #7	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3218.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3236.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3199.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #9	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	3400.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TMS,isomer #9	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C	3198.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #1	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3165.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #1	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3254.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #10	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3387.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #10	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3283.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O	3403.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O	3356.3	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #12	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3199.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #12	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3287.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3380.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3326.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #14	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3378.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #14	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3305.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #15	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3411.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #15	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3379.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #16	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3419.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #16	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3361.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #2	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3366.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #2	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3252.5	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #3	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3185.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #3	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3233.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #4	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3106.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #4	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3251.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #5	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3185.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #5	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3303.5	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #6	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O	3363.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #6	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O	3326.1	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #7	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3354.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #7	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3304.5	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #8	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3205.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #8	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3282.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #9	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3371.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,5TMS,isomer #9	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3292.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #1	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3156.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #1	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3328.3	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #2	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O[Si](C)(C)C	3326.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #2	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O[Si](C)(C)C	3346.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #3	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3326.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #3	CC(CSCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3330.3	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #4	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[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)C(=O)O	3357.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #4	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[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)C(=O)O	3401.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #5	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O[Si](C)(C)C	3365.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #5	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O[Si](C)(C)C	3381.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #6	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3358.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,6TMS,isomer #6	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3398.3	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,7TMS,isomer #1	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[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)C(=O)O[Si](C)(C)C	3350.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,7TMS,isomer #1	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C)[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)C(=O)O[Si](C)(C)C	3429.1	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TBDMS,isomer #1	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O	3565.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TBDMS,isomer #2	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3592.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TBDMS,isomer #3	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3572.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TBDMS,isomer #4	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O)C(=O)O	3653.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TBDMS,isomer #5	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3577.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,1TBDMS,isomer #6	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3625.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #1	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3771.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3831.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #11	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3770.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #12	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3810.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3852.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #14	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O	3947.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #15	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3899.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #16	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3788.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #2	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3759.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #3	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O	3829.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #4	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3761.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #5	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3797.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #6	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3779.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #7	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3846.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3782.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,2TBDMS,isomer #9	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3809.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #1	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3953.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	4023.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O	3953.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #12	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4007.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3935.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #14	CC(CSCC(NC(=O)CCC(N)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3953.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #15	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O	4015.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #16	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4139.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #17	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4036.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #18	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3956.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #19	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4013.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #2	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4004.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #20	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4130.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #21	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4035.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #22	CC(CSCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3954.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #23	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O	4026.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #24	CC(CSCC(C(=O)NCC(=O)O)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)C(=O)O	4124.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #25	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	4138.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #3	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O	3939.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #4	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3964.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #5	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4000.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #6	CC(CSCC(C(=O)NCC(=O)O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3943.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #7	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3967.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O)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)C(=O)O	3997.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,3TBDMS,isomer #9	CC(CSCC(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)C(=O)NCC(=O)O)C(=O)O	4138.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #1	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4133.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #1	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3790.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4153.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #10	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3798.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O[Si](C)(C)C(C)(C)C	4123.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #11	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O[Si](C)(C)C(C)(C)C	3825.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #12	CC(CSCC(C(=O)N(CC(=O)O)[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)C)C(=O)O	4157.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #12	CC(CSCC(C(=O)N(CC(=O)O)[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)C)C(=O)O	3851.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O)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)C)C(=O)O	4327.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #13	CC(CSCC(C(=O)NCC(=O)O)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)C)C(=O)O	3875.5	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #14	CC(CSCC(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)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	4330.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #14	CC(CSCC(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)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O	3856.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #15	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	4154.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #15	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	3828.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #16	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4321.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #16	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3830.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #17	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4162.1	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #17	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3816.5	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #18	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4115.7	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #18	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3852.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #19	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[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)C(=O)O	4164.5	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #19	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[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)C(=O)O	3869.9	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #2	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	4104.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #2	CC(CSCC(C(=O)NCC(=O)O[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)C(=O)O[Si](C)(C)C(C)(C)C	3811.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #20	CC(CSCC(C(=O)NCC(=O)O[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)C)C(=O)O	4322.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #20	CC(CSCC(C(=O)NCC(=O)O[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)C)C(=O)O	3882.2	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #21	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4319.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #21	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3867.9	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #22	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O[Si](C)(C)C(C)(C)C	4166.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #22	CC(CSCC(C(=O)N(CC(=O)O)[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)C(=O)O[Si](C)(C)C(C)(C)C	3842.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #23	CC(CSCC(C(=O)NCC(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	4319.9	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #23	CC(CSCC(C(=O)NCC(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	3862.7	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #24	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4320.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #24	CC(CSCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3845.8	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #25	CC(CSCC(C(=O)N(CC(=O)O)[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)C)C(=O)O	4316.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #25	CC(CSCC(C(=O)N(CC(=O)O)[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)C)C(=O)O	3908.4	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #3	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4106.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #3	CC(CSCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3798.1	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #4	CC(CSCC(C(=O)NCC(=O)O[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)C)C(=O)O	4142.0	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #4	CC(CSCC(C(=O)NCC(=O)O[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)C)C(=O)O	3832.3	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #5	CC(CSCC(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)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	4331.3	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #5	CC(CSCC(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)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3838.3	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #6	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4155.8	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #6	CC(CSCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3820.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #7	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[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)C(=O)O	4124.2	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #7	CC(CSCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[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)C(=O)O	3840.0	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	4153.4	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #8	CC(CSCC(C(=O)NCC(=O)O)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)C(=O)O[Si](C)(C)C(C)(C)C	3813.6	Standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #9	CC(CSCC(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)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	4324.6	Semi standard non polar	33892256
gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine,4TBDMS,isomer #9	CC(CSCC(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)C(=O)NCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3825.5	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0f6w-4339000000-108b82a7bb4001a163c5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine GC-MS (3 TMS) - 70eV, Positive	splash10-006x-4301190000-a87fd16315436260ed49	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 6V, Positive-QTOF	splash10-00kf-1597000000-f15ab8ee1160accc7104	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 6V, Negative-QTOF	splash10-0006-0967000000-a9be21cac32b0c734b3c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 6V, Positive-QTOF	splash10-0006-0967000000-3947d75736f25c632175	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 6V, Positive-QTOF	splash10-00kf-1597000000-e7997c599a74e7800e3b	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 10V, Positive-QTOF	splash10-024v-5149000000-3e1026527695931aeacf	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 20V, Positive-QTOF	splash10-00di-9351000000-036ca075f74c8d94a8e3	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 40V, Positive-QTOF	splash10-00di-9220000000-f596e7ccf9c9ebf7dda7	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 10V, Negative-QTOF	splash10-05n3-1349000000-c2232c3bf4c12f5dba85	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 20V, Negative-QTOF	splash10-014i-4934000000-594e262201ed293fb7dd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 40V, Negative-QTOF	splash10-00mo-6900000000-666500da5583523fab4a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 10V, Negative-QTOF	splash10-0a4r-0094000000-34a9ad52f55a3d661ed6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 20V, Negative-QTOF	splash10-03k9-0891000000-0205e6961acb9053bf91	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 40V, Negative-QTOF	splash10-002f-3920000000-9a12937e9c6e35f770c0	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 10V, Positive-QTOF	splash10-0006-0019000000-60bdac87c144a92bdad9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 20V, Positive-QTOF	splash10-03di-0983000000-7fde9c4e218790a11cb2	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine 40V, Positive-QTOF	splash10-01wb-4950000000-72c0656521892a49209c	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000479

KNApSAcK ID

Not Available

Chemspider ID

14764557

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

20140672

PDB ID

Not Available

ChEBI ID

168988

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine (HMDB0029394)

MOL for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

3D MOL for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

3D SDF for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

3D-SDF for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

PDB for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

3D PDB for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

SMILES for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

INCHI for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

Structure for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

3D Structure for HMDB0029394 (gamma-L-Glutamyl-S-(2-carboxy-1-propyl)cysteinylglycine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra