基本情報
- 標準SMILES
CC(C)(C)[Si](C)(C)O[C@@H](CNCCc1ccc(NC(=O)c2cccc(CNC(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)c2)cc1)c1ccc(O)c2[nH]c(=O)ccc12- InChIKey
WFPAREAHPXISJE-DYVQZXGMSA-N- 分子式
- C54H64N6O7Si
- 平均分子量
- 937.2 g/mol
名称と識別子
- 優先名称
- Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-{2-[(R)-2-(tert-Butyldimethylsilanyloxy)-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]ethyl}phenylcarbamoyl)phenyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester
- IUPAC
- [1-[3-[[3-[[4-[2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]phenyl]carbamoyl]phenyl]methylamino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
名称と別名
SCHEMBL699424WFPAREAHPXISJE-DYVQZXGMSA-NBiphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-{2-[(R)-2-(tert-Butyldimethylsilanyloxy)-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]-ethyl}phenylcarbamoyl)phenyl]methylcarbamoyl}ethyl)piperidin-4-yl EsterBiphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-{2-[(R)-2-(tert-Butyldimethylsilanyloxy)-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]ethyl}phenylcarbamoyl)phenyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester
データベース識別子
- PubChem CID
- 86646972
物性
構造計算による物性
- 極性表面積
- 170 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 9
- 回転可能結合数
- 20
- 重原子数
- 68
- 形式電荷
- 0
- 複雑度
- 1,650
関連反応
5 件
化合物ノート
読み込み中…