GSM
Summary
| Name: | L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE |
| Synonyms: | S-METHYL-GLUTATHIONE |
| Formula: | C11 H19 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 321.35 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-gamma-glutamyl-S-methyl-L-cysteinylglycine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-methylsulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSC |
| SMILES_CANONICAL | CACTVS | 3.341 | CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES | CACTVS | 3.341 | CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | QTQDDTSVRVWHMO-BQBZGAKWSA-N |
