9CI
Summary
| Name: | N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide |
| Synonyms: | N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide |
| Formula: | C25 H34 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 394.55 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H34N2O2/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)/t23-/m0/s1 |
| InChIKey | InChI | 1.06 | AGQFRFDHZZBREO-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O[CH](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CC(=O)NC[C@H](CNCC2CCCCC2)O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(CC(=O)NCC(CNCC2CCCCC2)O)c3ccccc3 |
