A1JL2
Summary
| Name: | (1~{R},2~{R})-2-azanyl-~{N}-[4-[(1~{R})-1-[propanoyl-[4-(trifluoromethyloxy)phenyl]amino]ethyl]phenyl]cyclopentane-1-carboxamide |
| Formula: | C24 H28 F3 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 463.493 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R})-2-azanyl-~{N}-[4-[(1~{R})-1-[propanoyl-[4-(trifluoromethyloxy)phenyl]amino]ethyl]phenyl]cyclopentane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H28F3N3O3/c1-3-22(31)30(18-11-13-19(14-12-18)33-24(25,26)27)15(2)16-7-9-17(10-8-16)29-23(32)20-5-4-6-21(20)28/h7-15,20-21H,3-6,28H2,1-2H3,(H,29,32)/t15-,20-,21-/m1/s1 |
| InChIKey | InChI | 1.06 | HEJXNOPCFGXXDM-IPHXSNPTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N([C@H](C)c1ccc(NC(=O)[C@@H]2CCC[C@H]2N)cc1)c3ccc(OC(F)(F)F)cc3 |
| SMILES | CACTVS | 3.385 | CCC(=O)N([CH](C)c1ccc(NC(=O)[CH]2CCC[CH]2N)cc1)c3ccc(OC(F)(F)F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)OC(F)(F)F)[C@H](C)c2ccc(cc2)NC(=O)[C@@H]3CCC[C@H]3N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(c1ccc(cc1)OC(F)(F)F)C(C)c2ccc(cc2)NC(=O)C3CCCC3N |
