N^α-tert-butoxycarbonyl-L-alanyl-L-alanyl-(N^ε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester | 155479-44-0

• 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: N^α-tert-butoxycarbonyl-L-alanyl-L-alanyl-(N^ε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester
• 英文别名: N^α-tert-butoxycarbonyl-L-alanyl-L-alanyl-[N^ε-(benzo-18-crown-6)-4-carbonyl]-L-lysyl-L-alanine methyl ester
• CAS: 155479-44-0
• 化学式: C₃₈H₆₁N₅O₁₄
• 分子量: 811.927
• InChiKey: FARNZTXSNLPBLI-QFVIIZQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.0
• 重原子数：
  57.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  236.41
• 氢给体数：
  5.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  N^α-tert-butoxycarbonyl-L-alanyl-L-alanyl-(N^ε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester 在 palladium on activated charcoal 盐酸 、 氢气 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0 ℃ 、344.73 kPa 条件下， 反应 23.0h， 生成 N^α-tert-butoxycarbonyl-L-alanyl-L-lysyl-L-alanyl-L-alanyl-L-alanyl-(N^ε-(benzo-18-crown-6)-4-carbonyl)-L-lysyl-L-alanine methyl ester acetate
  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：

  N-Boc-N'-Cbz-L-赖氨酸 在 palladium on activated charcoal 盐酸 、 氢气 、 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 、 甲醇 、 二氯甲烷 为溶剂， 25.0 ℃ 、275.79 kPa 条件下， 反应 12.0h， 生成 N^α-tert-butoxycarbonyl-L-alanyl-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