08P
Summary
| Name: | N-(carboxycarbonyl)-D-cysteine |
| Synonyms: | N-oxalyl-D-cysteine |
| Formula: | C5 H7 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 193.178 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(carboxycarbonyl)-D-cysteine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-(carboxycarbonylamino)-3-sulfanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(=O)O)NC(C(=O)O)CS |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1 |
| InChIKey | InChI | 1.03 | JOFZGZRXVKSFKN-UWTATZPHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H](CS)NC(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)[CH](CS)NC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C([C@H](C(=O)O)NC(=O)C(=O)O)S |
| SMILES | OpenEye OEToolkits | 1.7.2 | C(C(C(=O)O)NC(=O)C(=O)O)S |
