GS8
Summary
| Name: | S-Hydroxy-Glutathione |
| Formula: | C10 H17 N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 323.323 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | L-gamma-glutamyl-S-hydroxy-L-cysteinylglycine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-oxidanylsulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSO |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O7S/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | PFXSQLOWBQWLCX-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCC(=O)N[C@@H](CSO)C(=O)NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCC(=O)N[CH](CSO)C(=O)NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C(C(=O)O)N |
