5HI
Summary
| Name: | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid |
| Formula: | C28 H34 F N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 527.584 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,5R)-7-[2-(4-fluorophenyl)-4-{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-5-(1-methylethyl)-1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3R,5R)-7-[2-(4-fluorophenyl)-4-[[(1S)-2-hydroxy-1-phenyl-ethyl]carbamoyl]-5-propan-2-yl-imidazol-1-yl]-3,5-dihydroxy-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)CC(O)CCn2c(c(nc2c1ccc(F)cc1)C(=O)NC(c3ccccc3)CO)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(nc1C(=O)N[C@H](CO)c2ccccc2)c3ccc(F)cc3 |
| SMILES | CACTVS | 3.341 | CC(C)c1n(CC[CH](O)C[CH](O)CC(O)=O)c(nc1C(=O)N[CH](CO)c2ccccc2)c3ccc(F)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1c(nc(n1CCC(CC(CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NC(CO)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C28H34FN3O6/c1-17(2)26-25(28(38)30-23(16-33)18-6-4-3-5-7-18)31-27(19-8-10-20(29)11-9-19)32(26)13-12-21(34)14-22(35)15-24(36)37/h3-11,17,21-23,33-35H,12-16H2,1-2H3,(H,30,38)(H,36,37)/t21-,22-,23-/m1/s1 |
| InChIKey | InChI | 1.03 | YBLASZBVZVCRFU-DNVJHFABSA-N |
