1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]propyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]propyl]-4-phenethyl-triazole | 1198399-40-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]propyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]propyl]-4-phenethyl-triazole
• 英文别名: 1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]propyl]triazol-4-yl]-2-phenylethyl]triazol-4-yl]-2-phenylethyl]triazol-4-yl]propyl]-4-(2-phenylethyl)triazole
• CAS: 1198399-40-4
• 化学式: C₅₀H₅₅N₁₅
• 分子量: 866.087
• InChiKey: NRPVETVUGAVUNU-JNGUNIQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  65
• 可旋转键数：
  19
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  154
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-苯基-1-丁炔 、 在 copper(ll) sulfate pentahydrate 、 tris(benzyltriazolylmethyl)amine 、 sodium ascorbate 作用下， 以 N-甲基吡咯烷酮 、 水 为溶剂， 反应 0.08h， 生成 1-[(1S)-2-methyl-1-[1-[(1S)-1-[1-[(1S)-1-[1-[(1S)-2-methyl-1-[1-[(1R)-1-phenylethyl]triazol-4-yl]propyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]-2-phenyl-ethyl]triazol-4-yl]propyl]-4-phenethyl-triazole
  参考文献：
  名称：

  Evaluation of triazolamers as active site inhibitors of HIV-1 protease

  摘要：

  Proteases typically recognize their peptide substrates in extended conformations. General approaches for designing protease inhibitors often consist of peptidomimetics that feature this conformation. Herein we discuss a combination of computational and experimental studies to evaluate the potential of triazole-linked beta-strand mimetics as inhibitors of HIV-1 protease activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.049

文献信息

• Evaluation of triazolamers as active site inhibitors of HIV-1 protease
  作者：Andrea L. Jochim、Stephen E. Miller、Nicholas G. Angelo、Paramjit S. Arora

  DOI：10.1016/j.bmcl.2009.09.049

  日期：2009.11

  Proteases typically recognize their peptide substrates in extended conformations. General approaches for designing protease inhibitors often consist of peptidomimetics that feature this conformation. Herein we discuss a combination of computational and experimental studies to evaluate the potential of triazole-linked beta-strand mimetics as inhibitors of HIV-1 protease activity. (C) 2009 Elsevier Ltd. All rights reserved.