2Y9
Summary
| Name: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide |
| Formula: | C26 H42 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 474.636 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide |
| OpenEye OEToolkits | 1.7.6 | (3S,4R,5R)-N3-cyclopropyl-N5-[(2R)-1-ethoxy-4-methyl-pentan-2-yl]-4-oxidanyl-N3-(5-propan-2-ylpyridin-2-yl)piperidine-3,5-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(c1ncc(cc1)C(C)C)C2CC2)C3C(O)C(C(=O)NC(CC(C)C)COCC)CNC3 |
| InChI | InChI | 1.03 | InChI=1S/C26H42N4O4/c1-6-34-15-19(11-16(2)3)29-25(32)21-13-27-14-22(24(21)31)26(33)30(20-8-9-20)23-10-7-18(12-28-23)17(4)5/h7,10,12,16-17,19-22,24,27,31H,6,8-9,11,13-15H2,1-5H3,(H,29,32)/t19-,21-,22+,24-/m1/s1 |
| InChIKey | InChI | 1.03 | YOVGCKBDPOHLAV-CNIHBODFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C2CC2)c3ccc(cn3)C(C)C |
| SMILES | CACTVS | 3.385 | CCOC[CH](CC(C)C)NC(=O)[CH]1CNC[CH]([CH]1O)C(=O)N(C2CC2)c3ccc(cn3)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOCC(CC(C)C)NC(=O)C1CNCC(C1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3 |
