76I
Summary
| Name: | (2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid |
| Synonyms: | 2-hydroxy-2-(hydroxy(isopropyl)amino)acetate (2S)-2-Hydroxy-2-[hydroxy(propan-2-yl)amino]acetic acid; 87438397 |
| Formula: | C5 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 149.145 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO4/c1-3(2)6(10)4(7)5(8)9/h3-4,7,10H,1-2H3,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | SAXCDYFGYFOTMB-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N(O)[C@@H](O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)N(O)[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N([C@H](C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N(C(C(=O)O)O)O |
