(S)-4,4-difluoro-1-[(2S,3S)-4-(3-fluoro-phenyl)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-butyryl]-3,3-dimethyl-pyrrolidine-2-carboxylic acid isobutyl-amide | 478698-90-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (S)-4,4-difluoro-1-[(2S,3S)-4-(3-fluoro-phenyl)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-butyryl]-3,3-dimethyl-pyrrolidine-2-carboxylic acid isobutyl-amide
• 英文别名: (2S)-4,4-Difluoro-1-{(2S,3S)-4-(3-fluorophenyl)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]butanoyl}-N-isobutyl-3,3-dimethylpyrrolidine-2-carboxamide；(2S)-4,4-difluoro-1-[(2S,3S)-4-(3-fluorophenyl)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]butanoyl]-3,3-dimethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
• CAS: 478698-90-7
• 化学式: C₂₉H₃₆F₃N₃O₅
• 分子量: 563.617
• InChiKey: HDWYQSIMWJRXBD-OEMFJLHTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  119
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME AND THEIR PHARMACEUTICAL USES<br/>[FR] INHIBITEURS DE LA PROTEASE DU VIH, COMPOSITIONS LES CONTENANT ET LEURS UTILISATIONS PHARMACEUTIQUES
  申请人：PFIZER

  公开号：WO2005026114A1

  公开（公告）日：2005-03-24

  This invention relates to a novel series of chemical compounds useful as Human immunodeficiency Virus (HIV) protease inhibitors and to the use of such compounds as antiviral agents. The invention further relates to pharmaceutical compositions containing such antiviral agents, and their uses and materials for their synthesis

  这项发明涉及一类新型化合物系列，可用作人类免疫缺陷病毒（HIV）蛋白酶抑制剂，以及将这些化合物用作抗病毒剂的用途。该发明还涉及含有这种抗病毒剂的药物组合物，以及它们的用途和合成材料。
• HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis
  申请人：Alegria Andrew Larry

  公开号：US20050124683A1

  公开（公告）日：2005-06-09

  The present invention relates to a series of chemical compounds useful as Human Immunodeficiency Virus (HIV) protease inhibitors and to the use of such compounds as antiviral agents. The invention further relates to pharmaceutical compositions containing such antiviral agents, and their uses and materials for their synthesis

  本发明涉及一系列化合物，可用作人类免疫缺陷病毒（HIV）蛋白酶抑制剂，并将这些化合物用作抗病毒剂。本发明还涉及含有这些抗病毒剂的制药组合物及其用途和合成材料。
• US7179918B2
  申请人：——

  公开号：US7179918B2

  公开（公告）日：2007-02-20