C0C
Summary
| Name: | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide |
| Formula: | C26 H30 Cl N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 467.988 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-1-[1-(4-chlorophenyl)cyclopentyl]carbonyl-~{N}-[[3-(methylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCc1cccc(c1)C(=O)NC)C1CCCN1C(=O)C1(CCCC1)c1ccc(Cl)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1 |
| InChIKey | InChI | 1.03 | FKSCOWJURPRAGR-JOCHJYFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cccc(CNC(=O)[C@H]2CCCN2C(=O)C3(CCCC3)c4ccc(Cl)cc4)c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cccc(CNC(=O)[CH]2CCCN2C(=O)C3(CCCC3)c4ccc(Cl)cc4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cccc(c1)CNC(=O)[C@H]2CCCN2C(=O)C3(CCCC3)c4ccc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cccc(c1)CNC(=O)C2CCCN2C(=O)C3(CCCC3)c4ccc(cc4)Cl |
