JCX
Summary
| Name: | (2S,3R)-2-azanyl-3-phenyl-butanoic acid |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-2-azanyl-3-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7,9H,11H2,1H3,(H,12,13)/t7-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | IRZQDMYEJPNDEN-APPZFPTMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]([C@H](N)C(O)=O)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH]([CH](N)C(O)=O)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccccc1)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccccc1)C(C(=O)O)N |
