L1C
Summary
| Name: | (2R,4S)-N^1^-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N^2^-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide |
| Formula: | C28 H22 Cl F2 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 565.955 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,4S)-N~1~-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N~2~-(2-oxo-2H-1,3'-bipyridin-6'-yl)pyrrolidine-1,2-dicarboxamide |
| OpenEye OEToolkits | 1.6.1 | (2R,4S)-N-(4-chlorophenyl)-4-(2,4-difluorophenyl)-4-hydroxy-N'-[5-(2-oxopyridin-1-yl)pyridin-2-yl]pyrrolidine-1,2-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)NC(=O)N3CC(O)(c2ccc(F)cc2F)CC3C(=O)Nc4ncc(cc4)N5C=CC=CC5=O |
| SMILES_CANONICAL | CACTVS | 3.352 | O[C@@]1(C[C@@H](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)c5ccc(F)cc5F |
| SMILES | CACTVS | 3.352 | O[C]1(C[CH](N(C1)C(=O)Nc2ccc(Cl)cc2)C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)c5ccc(F)cc5F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(ccc1NC(=O)N2CC(CC2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C28H22ClF2N5O4/c29-17-4-7-19(8-5-17)33-27(39)36-16-28(40,21-10-6-18(30)13-22(21)31)14-23(36)26(38)34-24-11-9-20(15-32-24)35-12-2-1-3-25(35)37/h1-13,15,23,40H,14,16H2,(H,33,39)(H,32,34,38)/t23-,28-/m1/s1 |
| InChIKey | InChI | 1.03 | BGECSWGTDIXGJY-QDPGVEIFSA-N |
