3FB
Summary
| Name: | (3S)-3-AMINO-4-PHENYLBUTANOIC ACID |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-4-phenylbutanoic acid |
| OpenEye OEToolkits | 1.7.2 | (3S)-3-azanyl-4-phenyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(N)Cc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | OFVBLKINTLPEGH-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CC(O)=O)Cc1ccccc1 |
| SMILES | CACTVS | 3.370 | N[CH](CC(O)=O)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C[C@@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CC(CC(=O)O)N |
