KGT
Summary
| Name: | N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine |
| Formula: | C10 H14 N2 O7 S |
| Formal charge: | 0 |
| Formula weight: | 306.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine |
| OpenEye OEToolkits | 1.7.6 | 5-[[(2R)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-2,5-bis(oxidanylidene)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(=O)O)C(NC(=O)CCC(=O)C(=O)O)CS |
| InChI | InChI | 1.03 | InChI=1S/C10H14N2O7S/c13-6(10(18)19)1-2-7(14)12-5(4-20)9(17)11-3-8(15)16/h5,20H,1-4H2,(H,11,17)(H,12,14)(H,15,16)(H,18,19)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | PMIVQUCENWNWHX-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CNC(=O)[C@H](CS)NC(=O)CCC(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)CNC(=O)[CH](CS)NC(=O)CCC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)C(=O)O |
