A1D8M
Summary
| Name: | 4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide |
| Synonyms: | Firuglipel |
| Formula: | C25 H26 F N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 467.489 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1 |
| InChIKey | InChI | 1.06 | LRXRIKVDAVVQCP-SPLOXXLWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](Oc1ccc(cc1)C(=O)C2CC2)c3onc(n3)c4ccc(C(=O)N[C@H](C)CO)c(F)c4 |
| SMILES | CACTVS | 3.385 | CC[CH](Oc1ccc(cc1)C(=O)C2CC2)c3onc(n3)c4ccc(C(=O)N[CH](C)CO)c(F)c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](c1nc(no1)c2ccc(c(c2)F)C(=O)N[C@H](C)CO)Oc3ccc(cc3)C(=O)C4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(c1nc(no1)c2ccc(c(c2)F)C(=O)NC(C)CO)Oc3ccc(cc3)C(=O)C4CC4 |
