Obsolete: CGL
Summary
| Name: | CYSTINE-GLUTATHIONE |
| Formula: | C13 H22 N4 O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 426.466 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-5-({3-[(2-amino-2-carboxyethyl)disulfanyl]-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name) |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-5-[[3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)disulfanyl]-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)O)N)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25) |
| InChIKey | InChI | 1.03 | BNRXZEPOHPEEAS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(CCC(=O)NC(CSSCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | NC(CCC(=O)NC(CSSCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N |
