3,3-difluoro-2-methylbutan-2-yl ((2R,6S,7R,9R,13aS,14aR,16aS,Z)-7-ethyl-14a-(((1-(fluoromethyl)cyclopropyl)sulfonyl)carbamoyl)-9-methyl-2-((4-methyl-3,4-dihydro-2H-[1,4]oxazino[2,3-f]isoquinolin-7-yl)oxy)-5,16-dioxo-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 | 1408298-80-5

• 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,7R,9R,13aS,14aR,16aS,Z)-7-ethyl-14a-(((1-(fluoromethyl)cyclopropyl)sulfonyl)carbamoyl)-9-methyl-2-((4-methyl-3,4-dihydro-2H-[1,4]oxazino[2,3-f]isoquinolin-7-yl)oxy)-5,16-dioxo-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: (3,3-difluoro-2-methylbutan-2-yl) N-[(1S,4R,6S,7Z,11R,13R,14S,18R)-13-ethyl-4-[[1-(fluoromethyl)cyclopropyl]sulfonylcarbamoyl]-11-methyl-18-[(4-methyl-2,3-dihydropyrido[3,4-h][1,4]benzoxazin-7-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
• CAS: 1408298-80-5
• 化学式: C₄₃H₅₇F₃N₆O₉S
• 分子量: 891.022
• InChiKey: PLLNUGRLUQNNEE-RXSXWFTASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  62
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  194
• 氢给体数：
  3
• 氢受体数：
  14

文献信息

• Hepatitis C Virus Inhibitors
  申请人：Hiebert Sheldon

  公开号：US20130115190A1

  公开（公告）日：2013-05-09

  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。
• HEPATITIS C VIRUS INHIBITORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20150284391A1

  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.

  公开了具有一般式（I）的丙型肝炎病毒抑制剂。还公开了包含该化合物的组合物以及使用该化合物抑制丙型肝炎病毒的方法。
• 9-METHYL SUBSTITUTED HEXADECAHYDROCYCLOPROPA(E)PYRROLO(1,2-A)(1,4)DIAZACYCLOPENTADECINYL CARBAMATE DERIVATIVES AS NON-STRUCTURAL 3 (NS3) PROTEASE INHIBITORS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2909205B1

  公开（公告）日：2016-11-23
• US8957203B2
  申请人：——

  公开号：US8957203B2

  公开（公告）日：2015-02-17
• US9527885B2
  申请人：——

  公开号：US9527885B2

  公开（公告）日：2016-12-27