Nα-tert-butoxycarbonyl-(Nε-benzyloxycarbonyl)-L-lysyl-L-alanyl-(Nε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester | 155479-37-1

• 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: Nα-tert-butoxycarbonyl-(Nε-benzyloxycarbonyl)-L-lysyl-L-alanyl-(Nε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester
• 英文别名: N^α-tert-butoxycarbonyl-(N^ε-benzyloxycarbonyl)-L-lysyl-L-alanyl-(N^ε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester
• CAS: 155479-37-1
• 化学式: C₄₉H₇₄N₆O₁₆
• 分子量: 1003.16
• InChiKey: SWIQWJUUCFDONJ-MHAZMVRYSA-N

物化性质

• 沸点：
  1138.6±65.0 °C(predicted)
• 密度：
  1.171±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.08
• 重原子数：
  71.0
• 可旋转键数：
  21.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  274.74
• 氢给体数：
  6.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  Nα-tert-butoxycarbonyl-(Nε-benzyloxycarbonyl)-L-lysyl-L-alanyl-(Nε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester 在 盐酸 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 42.0h， 生成 N^α-tert-butoxycarbonyl-L-alanyl-L-alanyl-L-alanyl-(N^ε-benzyloxycarbonyl)-L-lysyl-L-alanyl-(N^ε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester
  参考文献：
  名称：

  Design and synthesis of novel peptides bearing a host and a guest side chains

  摘要：

  The synthesis of model heptapeptides bearing a host and a guest side chains at different positions is reported. These peptidic structures were designed in such a way that specific backbone; conformations could be induced and stabilized by cooperative side chain interactions. Although circular dichroism studies demonstrated that intra- and intermolecular host guest interactions are involved in the stabilization of the peptidic conformation, they are not strong enough to induce a complete conformational reorganization.

  DOI：

  10.1016/s0040-4020(01)80813-9
• 作为产物：
  描述：

  Nα-tert-butoxycarbonyl-L-alanyl-(Nε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester 在 盐酸 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 Nα-tert-butoxycarbonyl-(Nε-benzyloxycarbonyl)-L-lysyl-L-alanyl-(Nε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester
  参考文献：
  名称：

  Design and synthesis of novel peptides bearing a host and a guest side chains

  摘要：

  The synthesis of model heptapeptides bearing a host and a guest side chains at different positions is reported. These peptidic structures were designed in such a way that specific backbone; conformations could be induced and stabilized by cooperative side chain interactions. Although circular dichroism studies demonstrated that intra- and intermolecular host guest interactions are involved in the stabilization of the peptidic conformation, they are not strong enough to induce a complete conformational reorganization.

  DOI：

  10.1016/s0040-4020(01)80813-9