I78
Summary
| Name: | (2~{R})-2-(carboxycarbonylamino)propanoic acid |
| Synonyms: | N-oxalyl-D-alanine |
| Formula: | C5 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 161.113 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-(carboxycarbonylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1 |
| InChIKey | InChI | 1.06 | TZPZMVZGJVYAML-UWTATZPHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C(=O)O)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)O)NC(=O)C(=O)O |
