(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-oxo-pentanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-pyrrolidine-2-carboxamide

• 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: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-oxo-pentanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-pyrrolidine-2-carboxamide
• 英文别名: (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethylpyrrolidine-2-carboxamide
• 化学式: C₃₇H₄₅N₃O₆
• 分子量: 627.781
• InChiKey: ASGMYMLQCXQIRS-CLOKWESESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以75%的产率得到(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxychroman-4-yl]amino]-5-oxo-pentanoyl]-N-[(2,6-dimethylphenyl)methyl]-3,3-dimethyl-pyrrolidine-2-carboxamide
  参考文献：
  名称：

  Synthesis of novel HIV protease inhibitors (PI) with activity against PI-resistant virus

  摘要：

  A series of HIV protease inhibitors with modifications on the P3 position have been designed and synthesized. These compounds exhibit excellent antiviral activity against both the wild type enzyme and PI-resistant clinical viral isolates. The synthesis and biological activity of the compounds are described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.040

文献信息

• Synthesis of novel HIV protease inhibitors (PI) with activity against PI-resistant virus
  作者：Subharekha Raghavan、Zhijian Lu、Teresa Beeson、Kevin T. Chapman、William A. Schleif、David B. Olsen、Mark Stahlhut、Carrie A. Rutkowski、Lori Gabryelski、Emilio Emini、James R. Tata

  DOI：10.1016/j.bmcl.2007.07.040

  日期：2007.10

  A series of HIV protease inhibitors with modifications on the P3 position have been designed and synthesized. These compounds exhibit excellent antiviral activity against both the wild type enzyme and PI-resistant clinical viral isolates. The synthesis and biological activity of the compounds are described. (C) 2007 Elsevier Ltd. All rights reserved.