4HG
概要
| 表記: | N-[(4-HYDROXY-8-IODOISOQUINOLIN-3-YL)CARBONYL]GLYCINE |
| 組成式: | C12 H9 I N2 O4 |
| 電荷: | 0 |
| 化学式量: | 372.115 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-[(4-hydroxy-8-iodoisoquinolin-3-yl)carbonyl]glycine |
| OpenEye OEToolkits | 1.5.0 | 2-[(4-hydroxy-8-iodo-isoquinolin-3-yl)carbonylamino]ethanoic 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 |
| SMILES | ACDLabs | 10.04 | O=C(O)CNC(=O)c2ncc1c(I)cccc1c2O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CNC(=O)c1ncc2c(I)cccc2c1O |
| SMILES | CACTVS | 3.341 | OC(=O)CNC(=O)c1ncc2c(I)cccc2c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I |
| InChI | InChI | 1.03 | InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17) |
| InChIKey | InChI | 1.03 | FUMNLXHPILGSLC-UHFFFAOYSA-N |
