(S)-4,4-Difluoro-1-[(2S,3S)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-3,3-dimethyl-pyrrolidine-2-carboxylic acid (S)-indan-1-ylamide | 478698-48-5

• 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)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-3,3-dimethyl-pyrrolidine-2-carboxylic acid (S)-indan-1-ylamide
• 英文别名: (2S)-N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-4,4-difluoro-1-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-3,3-dimethylpyrrolidine-2-carboxamide；(2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4,4-difluoro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
• CAS: 478698-48-5
• 化学式: C₃₄H₃₇F₂N₃O₅
• 分子量: 605.682
• InChiKey: NVWCYSSXJKYWHM-ZSLRCHCDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  119
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis
  申请人：Canan Koch S. Stacie

  公开号：US20070021354A1

  公开（公告）日：2007-01-25

  Compounds of the formula: where the formula variables are as defined herein, are disclosed that advantageously inhibit or block the biological activity of the HIV protease. These compounds, as well as pharmaceutical compositions containing these compounds, are useful for treating patients or hosts infected with the HIV virus. Intermediates and synthetic methods for preparing such compounds are also described.

  公式为：其中公式变量如本文所定义，披露了有利地抑制或阻断HIV蛋白酶的生物活性的化合物。这些化合物以及含有这些化合物的药物组合物，对于治疗感染HIV病毒的患者或宿主是有用的。还描述了制备这些化合物的中间体和合成方法。
• US7179918B2
  申请人：——

  公开号：US7179918B2

  公开（公告）日：2007-02-20