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

HMDB0029395

Secondary Accession Numbers

HMDB29395

Metabolite Identification

Common Name

L-L-Homoglutathione

Description

Homoglutathione belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Homoglutathione has been detected, but not quantified in, mung beans (Vigna radiata). This could make homoglutathione a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Homoglutathione.

Structure

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

HMDB0029395
     RDKit          3D
L-L-Homoglutathione
 40 39  0  0  0  0  0  0  0  0999 V2000
   -4.6718    0.7264   -0.2835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8216    0.2081    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2396   -1.0900    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367   -0.9070   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    0.0094   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030    1.3347   -0.4972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4500   -0.8224 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    0.3824   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523    1.0257   -1.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    2.0438   -2.6805 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588   -0.4977   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -1.4941   -1.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -0.3509    0.8660 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8866   -1.2102    1.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106   -0.6533    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129    0.7399    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3064    1.3801    0.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309    1.2942    1.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7460   -0.1688    1.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929   -0.6566    2.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1148    0.0075    1.7973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2337    1.5035   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0044   -0.0502   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    0.8859    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0767   -1.8286    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.5561    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0534   -1.8844   -1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672   -0.4769   -1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259    1.8046    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8983    1.2059    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296    1.6569   -1.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944    0.2028   -2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    1.3335   -3.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -2.3871   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7008   -2.2323    0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884   -1.2196    2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7211   -0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9728   -1.3051    0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9161    2.1439    1.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6702   -0.7555    1.4192 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
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 18 39  1  0
 21 40  1  0
M  END


  Mrv0541 05061304462D          

 21 20  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493   -1.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0493   -2.5855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6204   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -0.5230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059    1.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9059   -0.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  1  0  0  0  0
 13  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17  9  1  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
 21  5  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029395

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC\C(O)=N\C(CS)C(\O)=N\CCC(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)

> <INCHI_KEY>
HKBNQXMLSMKLJV-UHFFFAOYSA-N

> <FORMULA>
C11H19N3O6S

> <MOLECULAR_WEIGHT>
321.35

> <EXACT_MASS>
321.099456045

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
31.775351772992657

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-[(Z)-{1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl]butanoic acid

> <ALOGPS_LOGP>
-2.14

> <JCHEM_LOGP>
-3.3824244751364323

> <ALOGPS_LOGS>
-3.17

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.140696698235509

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.9985452013404283

> <JCHEM_PKA_STRONGEST_BASIC>
9.432748176577151

> <JCHEM_POLAR_SURFACE_AREA>
165.79999999999998

> <JCHEM_REFRACTIVITY>
74.85770000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.19e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-[(Z)-{1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl]butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029395
     RDKit          3D
L-L-Homoglutathione
 40 39  0  0  0  0  0  0  0  0999 V2000
   -4.6718    0.7264   -0.2835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8216    0.2081    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2396   -1.0900    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367   -0.9070   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    0.0094   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030    1.3347   -0.4972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4500   -0.8224 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    0.3824   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523    1.0257   -1.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    2.0438   -2.6805 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588   -0.4977   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -1.4941   -1.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -0.3509    0.8660 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8866   -1.2102    1.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106   -0.6533    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129    0.7399    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3064    1.3801    0.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309    1.2942    1.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7460   -0.1688    1.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929   -0.6566    2.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1148    0.0075    1.7973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2337    1.5035   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0044   -0.0502   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    0.8859    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0767   -1.8286    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.5561    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0534   -1.8844   -1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672   -0.4769   -1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259    1.8046    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8983    1.2059    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296    1.6569   -1.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944    0.2028   -2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    1.3335   -3.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -2.3871   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7008   -2.2323    0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884   -1.2196    2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7211   -0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9728   -1.3051    0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9161    2.1439    1.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6702   -0.7555    1.4192 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
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 18 39  1  0
 21 40  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.692  -3.286   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.358  -2.516   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.358   2.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.025   1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.692  -4.826   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.025  -0.206   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       3.644   3.644   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -4.358  -0.976   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      -1.691   2.104   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -0.357  -0.206   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -7.026  -5.596   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -4.358  -5.596   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -1.691  -0.976   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
HETATM   21  S   UNK     0      -4.358   3.644   0.000  0.00  0.00           S+0
CONECT    1    2    6                                                       
CONECT    2    1    8                                                       
CONECT    3    4    9                                                       
CONECT    4    3   13                                                       
CONECT    5    7   21                                                       
CONECT    6    1   11   12                                                  
CONECT    7    5   10   14                                                  
CONECT    8    2   14   15                                                  
CONECT    9    3   16   17                                                  
CONECT   10    7   13   18                                                  
CONECT   11    6   19   20                                                  
CONECT   12    6                                                            
CONECT   13    4   10                                                       
CONECT   14    7    8                                                       
CONECT   15    8                                                            
CONECT   16    9                                                            
CONECT   17    9                                                            
CONECT   18   10                                                            
CONECT   19   11                                                            
CONECT   20   11                                                            
CONECT   21    5                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0253206
HETATM    1  N1  UNL     1      -3.762   0.695   2.220  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.225   0.702   0.847  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.939  -0.741   0.523  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.371  -0.990  -0.825  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.066  -0.337  -1.088  1.00  0.00           C  
HETATM    6  O1  UNL     1      -0.993   1.041  -1.004  1.00  0.00           O  
HETATM    7  N2  UNL     1       0.009  -0.980  -1.390  1.00  0.00           N  
HETATM    8  C5  UNL     1       1.281  -0.382  -1.649  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.985  -1.257  -2.694  1.00  0.00           C  
HETATM   10  S1  UNL     1       0.886  -1.236  -4.162  1.00  0.00           S  
HETATM   11  C7  UNL     1       2.176  -0.394  -0.450  1.00  0.00           C  
HETATM   12  O2  UNL     1       3.423   0.173  -0.643  1.00  0.00           O  
HETATM   13  N3  UNL     1       1.860  -0.871   0.663  1.00  0.00           N  
HETATM   14  C8  UNL     1       2.673  -0.904   1.820  1.00  0.00           C  
HETATM   15  C9  UNL     1       3.813   0.064   1.884  1.00  0.00           C  
HETATM   16  C10 UNL     1       3.338   1.469   1.789  1.00  0.00           C  
HETATM   17  O3  UNL     1       2.134   1.768   1.676  1.00  0.00           O  
HETATM   18  O4  UNL     1       4.274   2.482   1.828  1.00  0.00           O  
HETATM   19  C11 UNL     1      -4.248   1.295  -0.022  1.00  0.00           C  
HETATM   20  O5  UNL     1      -4.035   1.407  -1.245  1.00  0.00           O  
HETATM   21  O6  UNL     1      -5.445   1.731   0.497  1.00  0.00           O  
HETATM   22  H1  UNL     1      -3.036   0.200   2.794  1.00  0.00           H  
HETATM   23  H2  UNL     1      -4.676   0.169   2.197  1.00  0.00           H  
HETATM   24  H3  UNL     1      -2.290   1.283   0.917  1.00  0.00           H  
HETATM   25  H4  UNL     1      -3.887  -1.312   0.599  1.00  0.00           H  
HETATM   26  H5  UNL     1      -2.262  -1.169   1.282  1.00  0.00           H  
HETATM   27  H6  UNL     1      -3.050  -0.667  -1.654  1.00  0.00           H  
HETATM   28  H7  UNL     1      -2.305  -2.102  -0.949  1.00  0.00           H  
HETATM   29  H8  UNL     1      -0.456   1.637  -1.589  1.00  0.00           H  
HETATM   30  H9  UNL     1       1.253   0.624  -2.064  1.00  0.00           H  
HETATM   31  H10 UNL     1       2.958  -0.799  -2.958  1.00  0.00           H  
HETATM   32  H11 UNL     1       2.124  -2.285  -2.312  1.00  0.00           H  
HETATM   33  H12 UNL     1      -0.423  -1.558  -3.770  1.00  0.00           H  
HETATM   34  H13 UNL     1       4.096  -0.304  -1.242  1.00  0.00           H  
HETATM   35  H14 UNL     1       3.122  -1.916   2.012  1.00  0.00           H  
HETATM   36  H15 UNL     1       2.026  -0.685   2.721  1.00  0.00           H  
HETATM   37  H16 UNL     1       4.265  -0.073   2.927  1.00  0.00           H  
HETATM   38  H17 UNL     1       4.659  -0.167   1.220  1.00  0.00           H  
HETATM   39  H18 UNL     1       4.402   3.141   1.093  1.00  0.00           H  
HETATM   40  H19 UNL     1      -6.288   1.248   0.199  1.00  0.00           H  
CONECT    1    2   22   23
CONECT    2    3   19   24
CONECT    3    4   25   26
CONECT    4    5   27   28
CONECT    5    6    7    7
CONECT    6   29
CONECT    7    8
CONECT    8    9   11   30
CONECT    9   10   31   32
CONECT   10   33
CONECT   11   12   13   13
CONECT   12   34
CONECT   13   14
CONECT   14   15   35   36
CONECT   15   16   37   38
CONECT   16   17   17   18
CONECT   18   39
CONECT   19   20   20   21
CONECT   21   40
END

HMDB0029395
     RDKit          3D
L-L-Homoglutathione
 40 39  0  0  0  0  0  0  0  0999 V2000
   -4.6718    0.7264   -0.2835 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8216    0.2081    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2396   -1.0900    0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367   -0.9070   -0.9629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3054    0.0094   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5030    1.3347   -0.4972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105   -0.4500   -0.8224 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    0.3824   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4523    1.0257   -1.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736    2.0438   -2.6805 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588   -0.4977   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683   -1.4941   -1.1096 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -0.3509    0.8660 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8866   -1.2102    1.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1106   -0.6533    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129    0.7399    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3064    1.3801    0.5913 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4309    1.2942    1.9527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7460   -0.1688    1.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929   -0.6566    2.9834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1148    0.0075    1.7973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2337    1.5035   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0044   -0.0502   -0.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    0.8859    1.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0767   -1.8286    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.5561    1.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0534   -1.8844   -1.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672   -0.4769   -1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0259    1.8046    0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8983    1.2059    0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296    1.6569   -1.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944    0.2028   -2.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8505    1.3335   -3.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -2.3871   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7008   -2.2323    0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884   -1.2196    2.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -0.7211   -0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9728   -1.3051    0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9161    2.1439    1.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6702   -0.7555    1.4192 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
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  6 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 12 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 18 39  1  0
 21 40  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Amino-4-({1-[(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)butanoate	Generator
2-Amino-4-({1-[(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulphanylethyl}-C-hydroxycarbonimidoyl)butanoate	Generator
2-Amino-4-({1-[(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulphanylethyl}-C-hydroxycarbonimidoyl)butanoic acid	Generator

Chemical Formula

C₁₁H₁₉N₃O₆S

Average Molecular Weight

321.35

Monoisotopic Molecular Weight

321.099456045

IUPAC Name

2-amino-4-[(Z)-{1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl]butanoic acid

Traditional Name

2-amino-4-[(Z)-{1-[(Z)-(2-carboxyethyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl]butanoic acid

CAS Registry Number

18710-27-5

SMILES

NC(CC\C(O)=N\C(CS)C(\O)=N\CCC(O)=O)C(O)=O

InChI Identifier

InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)

InChI Key

HKBNQXMLSMKLJV-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Hybrid peptide
Alpha-dipeptide
Glutamine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Beta amino acid or derivatives
Alpha-amino acid
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Secondary carboxylic acid amide
Amino acid or derivatives
Amino acid
Carboxamide group
Carboxylic acid derivative
Alkylthiol
Carboxylic acid
Organopnictogen compound
Hydrocarbon derivative
Primary aliphatic amine
Carbonyl group
Organic nitrogen compound
Organic oxygen compound
Amine
Organic oxide
Organooxygen compound
Organosulfur compound
Primary amine
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.22 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-3.4	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	2	ChemAxon
pKa (Strongest Basic)	9.43	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	165.8 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	74.86 m³·mol⁻¹	ChemAxon
Polarizability	31.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	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]+	172.561	31661259
DarkChem	[M-H]-	169.697	31661259
DeepCCS	[M+H]+	184.327	30932474
DeepCCS	[M-H]-	181.969	30932474
DeepCCS	[M-2H]-	214.855	30932474
DeepCCS	[M+Na]+	190.42	30932474
AllCCS	[M+H]+	169.0	32859911
AllCCS	[M+H-H2O]+	166.4	32859911
AllCCS	[M+NH4]+	171.4	32859911
AllCCS	[M+Na]+	172.1	32859911
AllCCS	[M-H]-	169.8	32859911
AllCCS	[M+Na-2H]-	170.4	32859911
AllCCS	[M+HCOO]-	171.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
L-L-Homoglutathione	NC(CC\C(O)=N\C(CS)C(\O)=N\CCC(O)=O)C(O)=O	3998.1	Standard polar	33892256
L-L-Homoglutathione	NC(CC\C(O)=N\C(CS)C(\O)=N\CCC(O)=O)C(O)=O	2474.1	Standard non polar	33892256
L-L-Homoglutathione	NC(CC\C(O)=N\C(CS)C(\O)=N\CCC(O)=O)C(O)=O	3179.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
L-L-Homoglutathione,1TMS,isomer #1	C[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS)/C(O)=N/CCC(=O)O	2881.5	Semi standard non polar	33892256
L-L-Homoglutathione,1TMS,isomer #2	C[Si](C)(C)O/C(=N\CCC(=O)O)C(CS)/N=C(\O)CCC(N)C(=O)O	2891.0	Semi standard non polar	33892256
L-L-Homoglutathione,1TMS,isomer #3	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(N)C(=O)O	2953.9	Semi standard non polar	33892256
L-L-Homoglutathione,1TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O	2909.4	Semi standard non polar	33892256
L-L-Homoglutathione,1TMS,isomer #5	C[Si](C)(C)SCC(/N=C(\O)CCC(N)C(=O)O)/C(O)=N/CCC(=O)O	3037.3	Semi standard non polar	33892256
L-L-Homoglutathione,1TMS,isomer #6	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)C(=O)O	2995.3	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C	2799.1	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #10	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C	2835.3	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #11	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(\O)CCC(N)C(=O)O	2987.3	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #12	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C)C(=O)O	2961.0	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O	2970.9	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #14	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)C(=O)O[Si](C)(C)C	2956.3	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #15	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)C(=O)O	3077.9	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #16	C[Si](C)(C)N(C(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)C(=O)O)[Si](C)(C)C	3169.4	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #2	C[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C	2807.2	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #3	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C	2795.5	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #4	C[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O	2952.5	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #5	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O	2896.8	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #6	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(\O)CCC(N)C(=O)O	2796.3	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C	2799.7	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #8	C[Si](C)(C)O/C(=N\CCC(=O)O)C(CS[Si](C)(C)C)/N=C(\O)CCC(N)C(=O)O	2949.5	Semi standard non polar	33892256
L-L-Homoglutathione,2TMS,isomer #9	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O	2929.0	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2774.6	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #10	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O	2999.3	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #11	C[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N\C(CS)/C(O)=N/CCC(=O)O	3041.2	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #12	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C	2733.7	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #13	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(\O)CCC(N)C(=O)O	2890.6	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #14	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2828.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C	2892.0	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #16	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2833.9	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #17	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O	3015.4	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #18	C[Si](C)(C)O/C(=N\CCC(=O)O)C(CS)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3065.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #19	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C	2901.2	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #2	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2745.2	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #20	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2861.5	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #21	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C)C(=O)O	3026.4	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #22	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3075.0	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #23	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)C(=O)O[Si](C)(C)C	3008.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #24	C[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3098.6	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #25	C[Si](C)(C)SCC(/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/CCC(=O)O	3216.6	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C	2901.4	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #4	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2837.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C	2729.3	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #6	C[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C	2891.9	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #7	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2852.4	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #8	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C	2884.2	Semi standard non polar	33892256
L-L-Homoglutathione,3TMS,isomer #9	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2828.7	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #1	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(/CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2685.8	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #10	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2930.7	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #11	C[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N\C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C	3023.7	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #12	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2937.6	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #13	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3002.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #14	C[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N\C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O	3133.0	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #15	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C	2828.4	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #16	C[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.3	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #17	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2938.1	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #18	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2980.0	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #19	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2937.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2836.0	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #20	C[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2998.5	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #21	C[Si](C)(C)O/C(=N\CCC(=O)O)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3132.7	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #22	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2931.6	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3013.1	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3138.6	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #25	C[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3153.5	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #3	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2781.9	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(/CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2851.6	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #5	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2770.6	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #6	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2947.8	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3007.9	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #8	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C	2788.7	Semi standard non polar	33892256
L-L-Homoglutathione,4TMS,isomer #9	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2755.0	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(/CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2737.0	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #1	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(/CCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2689.9	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #10	C[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N\C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C	3088.3	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #10	C[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=N\C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C	2829.0	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3090.8	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #11	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2874.3	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #12	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2847.9	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #12	C[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2798.6	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(\O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2904.0	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #13	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(\O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2798.6	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3067.7	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #14	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2893.1	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #15	C[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3081.4	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #15	C[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2861.1	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3087.6	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2889.9	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #2	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2706.3	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #2	C[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2705.5	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #3	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2869.5	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #3	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2735.6	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2949.9	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2748.9	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #5	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2874.6	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #5	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2778.4	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2938.5	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2804.5	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3094.7	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC/C(=N/C(CS[Si](C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2840.1	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #8	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2820.1	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #8	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2747.4	Standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(/CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2925.3	Semi standard non polar	33892256
L-L-Homoglutathione,5TMS,isomer #9	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(/CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2770.2	Standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #1	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2823.0	Semi standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #1	C[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2775.5	Standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #2	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2890.1	Semi standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #2	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2831.9	Standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3021.2	Semi standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC/C(=N/C(CS[Si](C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2830.5	Standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3019.1	Semi standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2872.4	Standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #5	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2989.5	Semi standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #5	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2854.7	Standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #6	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2994.1	Semi standard non polar	33892256
L-L-Homoglutathione,6TMS,isomer #6	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(\O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2888.6	Standard non polar	33892256
L-L-Homoglutathione,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2978.3	Semi standard non polar	33892256
L-L-Homoglutathione,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C)C(CS[Si](C)(C)C)/N=C(/CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2877.1	Standard non polar	33892256
L-L-Homoglutathione,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS)/C(O)=N/CCC(=O)O	3100.7	Semi standard non polar	33892256
L-L-Homoglutathione,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O/C(=N\CCC(=O)O)C(CS)/N=C(\O)CCC(N)C(=O)O	3100.4	Semi standard non polar	33892256
L-L-Homoglutathione,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(N)C(=O)O	3181.8	Semi standard non polar	33892256
L-L-Homoglutathione,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O	3139.1	Semi standard non polar	33892256
L-L-Homoglutathione,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)SCC(/N=C(\O)CCC(N)C(=O)O)/C(O)=N/CCC(=O)O	3260.1	Semi standard non polar	33892256
L-L-Homoglutathione,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)C(=O)O	3206.9	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3254.7	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3294.5	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(N)C(=O)O	3463.4	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3392.7	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O	3411.2	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3360.9	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)C(=O)O	3499.6	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3472.2	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3262.8	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3282.1	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O	3393.2	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3348.1	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(\O)CCC(N)C(=O)O	3262.8	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3240.8	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O/C(=N\CCC(=O)O)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(N)C(=O)O	3381.1	Semi standard non polar	33892256
L-L-Homoglutathione,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3344.3	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3403.6	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3652.5	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N\C(CS)/C(O)=N/CCC(=O)O	3631.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3402.4	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(N)C(=O)O	3559.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3490.0	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3549.3	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3450.9	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O	3633.1	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O/C(=N\CCC(=O)O)C(CS)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3604.0	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3592.6	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3442.2	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3506.6	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3680.7	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3655.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3635.7	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS)/C(O)=N/CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3640.8	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)SCC(/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O	3764.0	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3578.7	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3485.9	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3390.0	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O/C(CCC(N)C(=O)O)=N\C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3543.5	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3485.1	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3588.2	Semi standard non polar	33892256
L-L-Homoglutathione,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3511.9	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(/CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3518.8	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3761.9	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N\C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3811.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3810.7	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3830.4	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N\C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O	3960.3	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3687.1	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3560.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3770.0	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3793.6	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3746.5	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3691.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3784.3	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O/C(=N\CCC(=O)O)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3935.3	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3795.3	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(\O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3818.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3962.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3955.0	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3580.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/N=C(/CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3741.7	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3635.1	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3791.4	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(=N/C(CS)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3824.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)/N=C(/CCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C	3670.2	Semi standard non polar	33892256
L-L-Homoglutathione,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3576.0	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)/N=C(/CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3803.4	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)/N=C(/CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3414.0	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N\C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	4110.0	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O/C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N\C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C	3481.8	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/N=C(/CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4141.8	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/N=C(/CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3577.2	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3853.7	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3526.2	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(\O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3926.5	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(\O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3549.4	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4100.4	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS[Si](C)(C)C(C)(C)C)/N=C(\O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3587.5	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4101.4	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(O)=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3572.3	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/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	4127.5	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS[Si](C)(C)C(C)(C)C)/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	3680.3	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3677.1	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3442.5	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3854.6	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3417.8	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3967.0	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(=N/C(CS)/C(=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3468.8	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3917.1	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3509.4	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/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)O[Si](C)(C)C(C)(C)C	3976.2	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O)C(CS)/N=C(/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)O[Si](C)(C)C(C)(C)C	3573.3	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4141.3	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(O)=N/CCC(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3561.5	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3843.7	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC/C(=N/C(CS[Si](C)(C)C(C)(C)C)/C(=N/CCC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3438.3	Standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(/CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3952.5	Semi standard non polar	33892256
L-L-Homoglutathione,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC/N=C(\O[Si](C)(C)C(C)(C)C)C(CS)/N=C(/CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3481.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (Non-derivatized) - 70eV, Positive	splash10-05bu-9481000000-f99d0896159c11fc0e20	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (4 TMS) - 70eV, Positive	splash10-006y-4311390000-d9dbfded517e0178faa3	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-L-Homoglutathione GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 10V, Positive-QTOF	splash10-05bu-8495000000-62a1fc286a2a3f3fb608	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 20V, Positive-QTOF	splash10-0079-9210000000-8e18f557aae557698dfc	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 40V, Positive-QTOF	splash10-059f-9100000000-efc2a4324b2eb50ad2f3	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 10V, Negative-QTOF	splash10-00di-2297000000-ff9cf4c095177e0de9a2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 20V, Negative-QTOF	splash10-009l-5593000000-c414ba6402f341020bf1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 40V, Negative-QTOF	splash10-00r7-9600000000-8ea4186bd1f232627ecc	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 10V, Negative-QTOF	splash10-0fe0-4359000000-33b1e8f33fd9fd211aeb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 20V, Negative-QTOF	splash10-000m-2951000000-e82816baecfcbd333ec3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 40V, Negative-QTOF	splash10-006x-9600000000-ecc6b54cf00406e92536	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 10V, Positive-QTOF	splash10-00dl-1629000000-7c6cfd91de3ced8e8c03	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 20V, Positive-QTOF	splash10-00g3-9701000000-78f5e5bb50f173beb9a0	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - L-L-Homoglutathione 40V, Positive-QTOF	splash10-000i-9300000000-c3cdb6cab5a61cd95762	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB000480

KNApSAcK ID

C00056351

Chemspider ID

2620558

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3375152

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for L-L-Homoglutathione (HMDB0029395)

MOL for HMDB0029395 (L-L-Homoglutathione)

3D MOL for HMDB0029395 (L-L-Homoglutathione)

3D SDF for HMDB0029395 (L-L-Homoglutathione)

3D-SDF for HMDB0029395 (L-L-Homoglutathione)

PDB for HMDB0029395 (L-L-Homoglutathione)

3D PDB for HMDB0029395 (L-L-Homoglutathione)

SMILES for HMDB0029395 (L-L-Homoglutathione)

INCHI for HMDB0029395 (L-L-Homoglutathione)

Structure for HMDB0029395 (L-L-Homoglutathione)

3D Structure for HMDB0029395 (L-L-Homoglutathione)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra