VWW
Summary
| Name: | L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide |
| Formula: | C23 H27 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 473.542 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-gamma-glutamyl-S-benzyl-N-[(R)-carboxy(phenyl)methyl]-L-cysteinamide |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-azanyl-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-hydroxy-2-oxo-1-phenyl-ethyl]amino]-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCC(=O)NC(C(=O)NC(c1ccccc1)C(=O)O)CSCc2ccccc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)N[C@@H](C(O)=O)c2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCC(=O)N[CH](CSCc1ccccc1)C(=O)N[CH](C(O)=O)c2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CSCC(C(=O)NC(c2ccccc2)C(=O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-,20+/m0/s1 |
| InChIKey | InChI | 1.03 | ZPSKWMFLCHMEOY-CMKODMSKSA-N |
