Summary
| Name: | 3-AMINO-4-PHENYL-BUTAN-2-ONE |
| Formula: | C10 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 163.216 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-amino-4-phenylbutan-2-one |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-4-phenyl-butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(N)Cc1ccccc1)C |
| InChI | InChI | 1.02b | InChI=1/C10H13NO/c1-8(12)10(11)7-9-5-3-2-4-6-9/h2-6,10H,7,11H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.02b | RTUDQBPZFFIRAD-JTQLQIEIBF |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(=O)[C@@H](N)Cc1ccccc1 |
| SMILES | CACTVS | 3.341 | CC(=O)[CH](N)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)[C@H](Cc1ccccc1)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)C(Cc1ccccc1)N |
