[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[17-[2-[(2S,5S)-5-methyl-1-[(2S)-2-(4-methyloxan-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: [(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-[17-[2-[(2S,5S)-5-methyl-1-[(2S)-2-(4-methyloxan-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamic acid
• 化学式: C₅₀H₆₂N₈O₈
• 分子量: 903.1
• InChiKey: IGNXMVUWEPPTCL-OEPKOWDZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  66
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  204
• 氢给体数：
  5
• 氢受体数：
  10

文献信息

• ANTIVIRAL COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20140178336A1

  公开（公告）日：2014-06-26

  The disclosure is related to anti-viral compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  该披露涉及抗病毒化合物，含有这种化合物的组合物，包括给予这种化合物的治疗方法，以及用于制备这种化合物的有用过程和中间体。
• US9233974B2
  申请人：——

  公开号：US9233974B2

  公开（公告）日：2016-01-12
• [EN] ANTIVIRAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIVIRAUX
  申请人：GILEAD SCIENCES INC

  公开号：WO2014100500A1

  公开（公告）日：2014-06-26

  The disclosure is related to compounds having a polycyclic core and at least one 2,6-dimethyltetrahydro-2H-pyran-4-yl, 4- methyltetrahydro-2H-pyran-4-yl, or tetrahydro-2H-pyran-3-yl capping group, which compounds are provided for use in pharmaceutical compositions and methods for treating hepatitis C (HCV).