QR5
概要
| 表記: | (2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide |
| 組成式: | C26 H25 Cl2 N5 O3 |
| 電荷: | 0 |
| 化学式量: | 526.414 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 | (2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[2-(3-cyclopropyl-2-oxidanylidene-imidazolidin-1-yl)ethanoylamino]-2-(3,4-dichlorophenyl)-~{N}-isoquinolin-4-yl-propanamide |
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 | Clc1ccc(cc1Cl)C(C)(NC(=O)CN1CCN(C2CC2)C1=O)C(=O)Nc1cncc2ccccc21 |
| InChI | InChI | 1.06 | InChI=1S/C26H25Cl2N5O3/c1-26(17-6-9-20(27)21(28)12-17,24(35)30-22-14-29-13-16-4-2-3-5-19(16)22)31-23(34)15-32-10-11-33(25(32)36)18-7-8-18/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,30,35)(H,31,34)/t26-/m1/s1 |
| InChIKey | InChI | 1.06 | CDPYVHPXDFRJSH-AREMUKBSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@](NC(=O)CN1CCN(C2CC2)C1=O)(C(=O)Nc3cncc4ccccc34)c5ccc(Cl)c(Cl)c5 |
| SMILES | CACTVS | 3.385 | C[C](NC(=O)CN1CCN(C2CC2)C1=O)(C(=O)Nc3cncc4ccccc34)c5ccc(Cl)c(Cl)c5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CN4CCN(C4=O)C5CC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CN4CCN(C4=O)C5CC5 |
