A1EY5
Summary
| Name: | (3~{R})-~{N}-[2-oxidanylidene-2-[[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]amino]ethyl]pyrrolidine-3-carboxamide |
| Formula: | C24 H25 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 419.539 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-[2-oxidanylidene-2-[[(~{R})-(4-phenylphenyl)-thiophen-2-yl-methyl]amino]ethyl]pyrrolidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H25N3O2S/c28-22(16-26-24(29)20-12-13-25-15-20)27-23(21-7-4-14-30-21)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-11,14,20,23,25H,12-13,15-16H2,(H,26,29)(H,27,28)/t20-,23-/m1/s1 |
| InChIKey | InChI | 1.06 | GCXGKCMCRJHICH-NFBKMPQASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CNC(=O)[C@@H]1CCNC1)N[C@@H](c2sccc2)c3ccc(cc3)c4ccccc4 |
| SMILES | CACTVS | 3.385 | O=C(CNC(=O)[CH]1CCNC1)N[CH](c2sccc2)c3ccc(cc3)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)[C@H](c3cccs3)NC(=O)CNC(=O)[C@@H]4CCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)C(c3cccs3)NC(=O)CNC(=O)C4CCNC4 |
