T7W
概要
| 表記: | (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid |
| 別名: | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid |
| 組成式: | C20 H22 N6 O4 |
| 電荷: | 0 |
| 化学式量: | 410.426 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C20H22N6O4/c1-20(2,9-17(28)29)8-16(27)26-10-14-13(22-11-23-14)7-15(26)19-24-18(25-30-19)12-3-5-21-6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,22,23)(H,28,29)/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | BOQIHBGLAJGBMU-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[C@@H]1c3onc(n3)c4ccncc4 |
| SMILES | CACTVS | 3.385 | CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(CC(=O)N1Cc2c([nH]cn2)C[C@@H]1c3nc(no3)c4ccncc4)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(CC(=O)N1Cc2c([nH]cn2)CC1c3nc(no3)c4ccncc4)CC(=O)O |
