41H
Summary
| Name: | (betaS)-beta-methyl-L-phenylalanine |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (betaS)-beta-methyl-L-phenylalanine |
| OpenEye OEToolkits | 1.7.6 | (2S,3S)-2-azanyl-3-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(c1ccccc1)C |
| 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-/m0/s1 |
| InChIKey | InChI | 1.03 | IRZQDMYEJPNDEN-CBAPKCEASA-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 | 1.7.6 | C[C@@H](c1ccccc1)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(c1ccccc1)C(C(=O)O)N |
