HGS
Summary
| Name: | D-gamma-glutamyl-L-cysteinyl-beta-alanine |
| Formula: | C11 H19 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 321.35 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (2R)-2-azanyl-5-[[(2R)-1-(2-carboxyethylamino)-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH](CCC(=O)N[CH](CS)C(=O)NCCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N |
| InChI | InChI | 1.03 | 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)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | HKBNQXMLSMKLJV-RQJHMYQMSA-N |
