A1IM2
Summary
| Name: | 1-[[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbonylamino]phenyl]phenyl]carbonylamino]cyclopentane-1-carboxylic acid |
| Synonyms: | 1-(4'-(2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamido)-[1,1'-biphenyl]-4-carboxamido)cyclopentane-1-carboxylic acid |
| Formula: | C30 H24 F3 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 563.524 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[4-[4-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbonylamino]phenyl]phenyl]carbonylamino]cyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H24F3N3O5/c31-30(32,33)24-23(35-27(41-24)21-6-2-1-3-7-21)26(38)34-22-14-12-19(13-15-22)18-8-10-20(11-9-18)25(37)36-29(28(39)40)16-4-5-17-29/h1-3,6-15H,4-5,16-17H2,(H,34,38)(H,36,37)(H,39,40) |
| InChIKey | InChI | 1.06 | KCKYDKRAHWWVSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCC1)NC(=O)c2ccc(cc2)c3ccc(NC(=O)c4nc(oc4C(F)(F)F)c5ccccc5)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCC1)NC(=O)c2ccc(cc2)c3ccc(NC(=O)c4nc(oc4C(F)(F)F)c5ccccc5)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(c(o2)C(F)(F)F)C(=O)Nc3ccc(cc3)c4ccc(cc4)C(=O)NC5(CCCC5)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc(c(o2)C(F)(F)F)C(=O)Nc3ccc(cc3)c4ccc(cc4)C(=O)NC5(CCCC5)C(=O)O |
