UEH
Summary
| Name: | (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide |
| Synonyms: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
| Formula: | C34 H45 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 615.766 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C34H45N7O4/c1-33(2)11-14-40(15-12-33)20-25-8-9-27(28(42)17-25)32(44)37-21-34(45)10-5-13-41(22-34)30-18-29(38-23-39-30)36-19-24-6-4-7-26(16-24)31(43)35-3/h4,6-9,16-18,23,42,45H,5,10-15,19-22H2,1-3H3,(H,35,43)(H,37,44)(H,36,38,39)/t34-/m1/s1 |
| InChIKey | InChI | 1.03 | HJSOUGSVWHGZMD-UUWRZZSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C@@](O)(CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c1 |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C](O)(CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C |
