8S6
Summary
| Name: | (3R)-3-(oxaloamino)butanoic acid |
| Formula: | C6 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 175.139 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-(oxaloamino)butanoic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-(carboxycarbonylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(NC(=O)C(=O)O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3H,2H2,1H3,(H,7,10)(H,8,9)(H,11,12)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | ZQWAVKINQMTJSS-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CC(O)=O)NC(=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CC(O)=O)NC(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CC(=O)O)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CC(=O)O)NC(=O)C(=O)O |
