PKC
Summary
| Name: | (2R,3S)-1,3-diamino-4-phenylbutan-2-ol |
| Formula: | C10 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 180.247 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,3S)-1,3-diamino-4-phenylbutan-2-ol |
| OpenEye OEToolkits | 1.7.2 | (2R,3S)-1,3-bis(azanyl)-4-phenyl-butan-2-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(C(N)Cc1ccccc1)CN |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11-12H2/t9-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | GBGREWJCXCRWFB-VHSXEESVSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC[C@@H](O)[C@@H](N)Cc1ccccc1 |
| SMILES | CACTVS | 3.370 | NC[CH](O)[CH](N)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C[C@@H]([C@@H](CN)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CC(C(CN)O)N |
