FV0
Summary
| Name: | (2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol |
| Formula: | C14 H24 N2 O |
| Formal charge: | 0 |
| Formula weight: | 236.353 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol |
| OpenEye OEToolkits | 1.7.2 | (2R,3S)-3-azanyl-1-(2-methylpropylamino)-4-phenyl-butan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(N)Cc1ccccc1)CNCC(C)C |
| InChI | InChI | 1.03 | InChI=1S/C14H24N2O/c1-11(2)9-16-10-14(17)13(15)8-12-6-4-3-5-7-12/h3-7,11,13-14,16-17H,8-10,15H2,1-2H3/t13-,14+/m0/s1 |
| InChIKey | InChI | 1.03 | RHCZPSYTFNEZBK-UONOGXRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)CNC[C@@H](O)[C@@H](N)Cc1ccccc1 |
| SMILES | CACTVS | 3.370 | CC(C)CNC[CH](O)[CH](N)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)CNC[C@H]([C@H](Cc1ccccc1)N)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)CNCC(C(Cc1ccccc1)N)O |
