A1EY6
Summary
| Name: | (3~{R})-~{N}-[2-[[(~{R})-[4-(2-fluorophenyl)phenyl]-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxamide |
| Formula: | C24 H24 F N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 437.53 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-[2-[[(~{R})-[4-(2-fluorophenyl)phenyl]-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]pyrrolidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H24FN3O2S/c25-20-5-2-1-4-19(20)16-7-9-17(10-8-16)23(21-6-3-13-31-21)28-22(29)15-27-24(30)18-11-12-26-14-18/h1-10,13,18,23,26H,11-12,14-15H2,(H,27,30)(H,28,29)/t18-,23-/m1/s1 |
| InChIKey | InChI | 1.06 | ZBHGBRUXINJSFI-WZONZLPQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1c2ccc(cc2)[C@@H](NC(=O)CNC(=O)[C@@H]3CCNC3)c4sccc4 |
| SMILES | CACTVS | 3.385 | Fc1ccccc1c2ccc(cc2)[CH](NC(=O)CNC(=O)[CH]3CCNC3)c4sccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2ccc(cc2)[C@H](c3cccs3)NC(=O)CNC(=O)[C@@H]4CCNC4)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)c2ccc(cc2)C(c3cccs3)NC(=O)CNC(=O)C4CCNC4)F |
