A1E94
Summary
| Name: | Eliglustat |
| Formula: | C23 H36 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 404.543 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R},2~{R})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-oxidanyl-3-pyrrolidin-1-yl-propan-2-yl]octanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H36N2O4/c1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20/h10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26)/t19-,23-/m1/s1 |
| InChIKey | InChI | 1.06 | FJZZPCZKBUKGGU-AUSIDOKSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c2ccc3OCCOc3c2 |
| SMILES | CACTVS | 3.385 | CCCCCCCC(=O)N[CH](CN1CCCC1)[CH](O)c2ccc3OCCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](c2ccc3c(c2)OCCO3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCC(=O)NC(CN1CCCC1)C(c2ccc3c(c2)OCCO3)O |
