V0N
Summary
| Name: | 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide |
| Formula: | C17 H25 F N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 340.39 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H25FN2O4/c1-19-15(22)9-13-16(23)17(24)14(10-21)20(13)8-2-3-11-4-6-12(18)7-5-11/h4-7,13-14,16-17,21,23-24H,2-3,8-10H2,1H3,(H,19,22)/t13-,14-,16+,17-/m1/s1 |
| InChIKey | InChI | 1.03 | IVSNKOONVYNOFH-TXCZRRACSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)N1CCCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | CNC(=O)C[CH]1[CH](O)[CH](O)[CH](CO)N1CCCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=O)CC1C(C(C(N1CCCc2ccc(cc2)F)CO)O)O |
