A1L2P
Summary
| Name: | (2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid |
| Formula: | C26 H29 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 447.526 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-[[4-methoxy-2-[(2-methyl-3-phenyl-phenyl)methoxy]pyrimidin-5-yl]methyl]piperidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H29N3O4/c1-18-20(11-8-12-22(18)19-9-4-3-5-10-19)17-33-26-27-15-21(24(28-26)32-2)16-29-14-7-6-13-23(29)25(30)31/h3-5,8-12,15,23H,6-7,13-14,16-17H2,1-2H3,(H,30,31)/t23-/m0/s1 |
| InChIKey | InChI | 1.06 | ANUJMSZHAOMHOI-QHCPKHFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1nc(OCc2cccc(c2C)c3ccccc3)ncc1CN4CCCC[C@H]4C(O)=O |
| SMILES | CACTVS | 3.385 | COc1nc(OCc2cccc(c2C)c3ccccc3)ncc1CN4CCCC[CH]4C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1c2ccccc2)COc3ncc(c(n3)OC)CN4CCCC[C@H]4C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1c2ccccc2)COc3ncc(c(n3)OC)CN4CCCCC4C(=O)O |
