WE1
概要
| 表記: | 4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide |
| 組成式: | C20 H27 N5 O3 S |
| 電荷: | 0 |
| 化学式量: | 417.525 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-({[(2R)-2-methyl-2-(morpholin-4-yl)butyl]carbamoyl}amino)-N-(1,3-thiazol-2-yl)benzamide |
| OpenEye OEToolkits | 2.0.7 | 4-[[(2~{R})-2-methyl-2-morpholin-4-yl-butyl]carbamoylamino]-~{N}-(1,3-thiazol-2-yl)benzamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n3c(NC(c2ccc(NC(NCC(C)(CC)N1CCOCC1)=O)cc2)=O)scc3 |
| InChI | InChI | 1.03 | InChI=1S/C20H27N5O3S/c1-3-20(2,25-9-11-28-12-10-25)14-22-18(27)23-16-6-4-15(5-7-16)17(26)24-19-21-8-13-29-19/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,24,26)(H2,22,23,27)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | DBKPEQXYKJIJBQ-HXUWFJFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2sccn2)N3CCOCC3 |
| SMILES | CACTVS | 3.385 | CC[C](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2sccn2)N3CCOCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@](C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)(CNC(=O)Nc1ccc(cc1)C(=O)Nc2nccs2)N3CCOCC3 |
