tert-butyl ((2R,6S,7R,9R,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-7-ethyl-9-methyl-5,16-dioxo-2-((2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl)oxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-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: tert-butyl ((2R,6S,7R,9R,13aS,14aR,16aS,Z)-14a-((cyclopropylsulfonyl)carbamoyl)-7-ethyl-9-methyl-5,16-dioxo-2-((2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl)oxy)-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl)carbamate
• 英文别名: tert-butyl N-[(1S,4R,6S,7Z,11R,13R,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-13-ethyl-11-methyl-2,15-dioxo-18-[2-(trifluoromethyl)pyrido[2,3-b]pyrazin-3-yl]oxy-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
• 化学式: C₃₇H₄₈F₃N₇O₈S
• 分子量: 807.891
• InChiKey: UNLCMYCDLRRFIC-QDJKETFBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  56
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  207
• 氢给体数：
  3
• 氢受体数：
  14

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US20140127156A1

  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.

  丙型肝炎病毒抑制剂具有通式（I）如下。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。
• US9643999B2
  申请人：——

  公开号：US9643999B2

  公开（公告）日：2017-05-09
• [EN] HEPATITIS C VIRUS INHIBITORS<br/>[FR] INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014071032A1

  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.