0B2
Summary
| Name: | (2S,4R)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one |
| Formula: | C12 H23 N O2 |
| Formal charge: | 0 |
| Formula weight: | 213.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4R)-2-amino-1-cyclohexyl-5-hydroxy-4-methylpentan-3-one |
| OpenEye OEToolkits | 1.7.6 | (2S,4R)-2-azanyl-1-cyclohexyl-4-methyl-5-oxidanyl-pentan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(N)CC1CCCCC1)C(C)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H23NO2/c1-9(8-14)12(15)11(13)7-10-5-3-2-4-6-10/h9-11,14H,2-8,13H2,1H3/t9-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | OEWIJBYSGPNZTD-KOLCDFICSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](CO)C(=O)[C@@H](N)CC1CCCCC1 |
| SMILES | CACTVS | 3.370 | C[CH](CO)C(=O)[CH](N)CC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CO)C(=O)[C@H](CC1CCCCC1)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CO)C(=O)C(CC1CCCCC1)N |
