(1R,2S,16'S,20'R,21a'S)-16'-{[(cyclopentyloxy)carbonyl]amino}-7'-methyl-6',6'-dioxido-1',4',17'-trioxo-2-vinyloctadecahydro-7'H-spiro[cyclopropane-1,3'-pyrrolo[2,1-g][1,2,5,8,19]thiatetraazacyclononadecin]-20'-yl 4-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate | 1051390-93-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1R,2S,16'S,20'R,21a'S)-16'-{[(cyclopentyloxy)carbonyl]amino}-7'-methyl-6',6'-dioxido-1',4',17'-trioxo-2-vinyloctadecahydro-7'H-spiro[cyclopropane-1,3'-pyrrolo[2,1-g][1,2,5,8,19]thiatetraazacyclononadecin]-20'-yl 4-fluoro-1,3-dihydro-2H-isoindole-2-carboxylate
• 英文别名: [(2'S,3S,16R,19S,21R)-3-(cyclopentyloxycarbonylamino)-2'-ethenyl-12-methyl-2,13,13,15,18-pentaoxospiro[13lambda6-thia-1,12,14,17-tetrazabicyclo[17.3.0]docosane-16,1'-cyclopropane]-21-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate；[(2'S,3S,16R,19S,21R)-3-(cyclopentyloxycarbonylamino)-2'-ethenyl-12-methyl-2,13,13,15,18-pentaoxospiro[13λ6-thia-1,12,14,17-tetrazabicyclo[17.3.0]docosane-16,1'-cyclopropane]-21-yl] 4-fluoro-1,3-dihydroisoindole-2-carboxylate
• CAS: 1051390-93-2
• 化学式: C₃₇H₅₁FN₆O₉S
• 分子量: 774.911
• InChiKey: DXKDPFUUNUSFFI-WXYAKWMVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  54
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  192
• 氢给体数：
  3
• 氢受体数：
  11

文献信息

• Organic Compounds and their uses
  申请人：Britt Shawn D.

  公开号：US20100240638A1

  公开（公告）日：2010-09-23

  The present application describes macrocyclic compounds of formula (I) with NS3 protease inhibitory activity for treating hepatitis C virus infection.

  本申请描述了公式（I）的大环化合物，具有NS3蛋白酶抑制活性，用于治疗丙型肝炎病毒感染。