HH3
Summary
| Name: | (2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid |
| Synonyms: | alpha-hydroxyhippuric acid |
| Formula: | C9 H9 N O4 |
| Formal charge: | 0 |
| Formula weight: | 195.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-benzamido-2-hydroxy-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC(O)C(=O)O)c1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](NC(=O)c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](NC(=O)c1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)N[C@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(=O)NC(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | GCWCVCCEIQXUQU-QMMMGPOBSA-N |
