HMF
Summary
| Name: | 2-AMINO-4-PHENYL-BUTYRIC ACID |
| Synonyms: | D-BETA-HOMOPHENYLALANINE |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-amino-4-phenylbutanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2R)-2-azanyl-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CCc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | JTTHKOPSMAVJFE-SECBINFHSA-N |
