methyl N-[(1S)-2-[(2S,5S)-2-[5-[6-[(1R,3R,5S,8S,10aR)-5-(methoxyamino)-1,3-dimethyl-6-oxo-1,3,4,4a,5,8,9,10,10a,10b-decahydropyrano[4,3-g]indolizin-8-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-1-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-oxoethyl]carbamate

• 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: methyl N-[(1S)-2-[(2S,5S)-2-[5-[6-[(1R,3R,5S,8S,10aR)-5-(methoxyamino)-1,3-dimethyl-6-oxo-1,3,4,4a,5,8,9,10,10a,10b-decahydropyrano[4,3-g]indolizin-8-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,11,14(19),15,17-octaen-17-yl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-1-[(2R,6R)-2,6-dimethyloxan-4-yl]-2-oxoethyl]carbamate
• 化学式: C₅₁H₆₄N₈O₈
• 分子量: 917.1
• InChiKey: VVXVOMROPMSMJE-BRZLMIIOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  67
• 可旋转键数：
  9
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  185
• 氢给体数：
  4
• 氢受体数：
  11

文献信息

• [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).