(1S,3S,4S,5R,6S,7S)-methyl 4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-(tert-butoxycarbonylamino)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxylate | 1170695-96-1

• 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: (1S,3S,4S,5R,6S,7S)-methyl 4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-(tert-butoxycarbonylamino)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxylate
• CAS: 1170695-96-1
• 化学式: C₉₀H₉₆N₄O₁₉
• 分子量: 1537.77
• InChiKey: UFEWEVMZJMCKSE-DGMNIVENSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.78
• 重原子数：
  113.0
• 可旋转键数：
  32.0
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  262.69
• 氢给体数：
  4.0
• 氢受体数：
  19.0

反应信息

• 作为产物：
  描述：

  、 (1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-(tert-butoxycarbonylamino)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxylic acid 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以32 mg的产率得到(1S,3S,4S,5R,6S,7S)-methyl 4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-((1S,3S,4S,5R,6S,7S)-4,5-bis(benzyloxy)-7-(tert-butoxycarbonylamino)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxamido)-2-oxabicyclo[4.1.0]heptane-3-carboxylate
  参考文献：
  名称：

  Pyranocyclopropanyl sugar amino acids, a new class of constrained (di)peptide isosteres

  摘要：

  The design, synthesis and application of oxabicyclo[4.1.0]heptane amino acids as conformationally restricted sugar amino acid dipeptide isosteres are reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.03.009