GTS
Summary
| Name: | GLUTATHIONE SULFONIC ACID |
| Formula: | C10 H17 N3 O9 S |
| Formal charge: | 0 |
| Formula weight: | 355.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | L-gamma-glutamyl-3-sulfo-L-alanylglycine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfo-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(C(=O)NCC(=O)O)CS(=O)(=O)O)CCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCC(=O)N[C@@H](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCC(=O)N[CH](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | QGWRMTHFAZVWAM-WDSKDSINSA-N |
