3,3-difluoro-2-methylbutan-2-yl ((2R,6S,7S,9R,13aS,14aR,16aS,Z)-7-ethyl-2-((3-(5-isopropoxypyridin-2-yl)-6-methoxyisoquinolin-1-yl)oxy)-9-methyl-14a-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-5,16-dioxo-2,3,5,6,7,9,10,11,13a,14,14a,15,16,16a-tetradecahydro-1H-cyclopropa[i]pyrrolo[1,2-e][1,5,8]oxadiazacyclopentadecin-6-yl)carbamate

• 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: 3,3-difluoro-2-methylbutan-2-yl ((2R,6S,7S,9R,13aS,14aR,16aS,Z)-7-ethyl-2-((3-(5-isopropoxypyridin-2-yl)-6-methoxyisoquinolin-1-yl)oxy)-9-methyl-14a-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-5,16-dioxo-2,3,5,6,7,9,10,11,13a,14,14a,15,16,16a-tetradecahydro-1H-cyclopropa[i]pyrrolo[1,2-e][1,5,8]oxadiazacyclopentadecin-6-yl)carbamate
• 英文别名: (3,3-difluoro-2-methylbutan-2-yl) N-[(1S,4R,6S,7Z,11R,13S,14S,18R)-13-ethyl-18-[6-methoxy-3-(5-propan-2-yloxypyridin-2-yl)isoquinolin-1-yl]oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-dioxo-12-oxa-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
• 化学式: C₄₈H₆₂F₂N₆O₁₁S
• 分子量: 969.117
• InChiKey: CEPWPCBONWPLRY-CHNKKNHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  68
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  222
• 氢给体数：
  3
• 氢受体数：
  15

文献信息

• Hepatitis C Virus Inhibitors
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150284409A1

  公开（公告）日：2015-10-08

  Hepatitis C virus inhibitors having the general formula (I) are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.

  揭示了具有一般公式（I）的丙型肝炎病毒抑制剂。还公开了包含这些化合物的组合物以及使用这些化合物抑制HCV的方法。
• HEPATITIS C VIRUS INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2914613B1

  公开（公告）日：2017-11-22
• US9598433B2
  申请人：——

  公开号：US9598433B2

  公开（公告）日：2017-03-21
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014070964A1

  公开（公告）日：2014-05-08

  Hepatitis C virus inhibitors having the general formula (I) are disclosed. Compositions comprising the compounds and methods for using the compounds to inhibit HCV are also disclosed.