UQK
Summary
| Name: | N-oxalyl-alpha-methylalanine |
| Synonyms: | 2-(carboxycarbonylamino)-2-methyl-propanoic acid |
| Formula: | C6 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 175.139 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(carboxycarbonylamino)-2-methyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H9NO5/c1-6(2,5(11)12)7-3(8)4(9)10/h1-2H3,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | ISTWWSBLMQHYIQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(NC(=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(NC(=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)O)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)O)NC(=O)C(=O)O |
