NXK
概要
| 表記: | 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid |
| 別名: | 2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid |
| 組成式: | C16 H15 B F N O6 |
| 電荷: | 0 |
| 化学式量: | 347.103 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 | 2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]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 |
| InChI | InChI | 1.03 | InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21) |
| InChIKey | InChI | 1.03 | ONNIFGAKNSCDLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 |
| SMILES | CACTVS | 3.385 | OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O |
