Boc-aMePhe-His-OMe | 192064-93-0

• 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: Boc-aMePhe-His-OMe
• 英文别名: methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]propanoate
• CAS: 192064-93-0
• 化学式: C₂₂H₃₀N₄O₅
• 分子量: 430.504
• InChiKey: UWQQHFYUVGKCFF-JTSKRJEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Boc-aMePhe-His-OMe 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-2-((S)-2-Amino-2-methyl-3-phenyl-propionylamino)-3-(1H-imidazol-4-yl)-propionic acid methyl ester
  参考文献：
  名称：

  Studies on cyclic dipeptides, II. Methylated modifications ofcyclo-[Phe-His]

  摘要：

  Synthesis of seven new cyclic dipeptides and their conformational analysis based on H-1 NMR spectra is reported as well as their application as models to elucidate the mechanism of cyclic dipeptide catalysis in enantioselective mandelonitrile formation. Further evidence is presented to support the view that a highly ordered supramolecular complex of dipeptides acts as catalyst.

  DOI：

  10.1007/bf00807896
• 作为产物：
  描述：

  2-甲基-L-苯丙氨酸一水物 在 sodium hydroxide 、 氰基磷酸二乙酯 、 三乙胺 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 77.0h， 生成 Boc-aMePhe-His-OMe
  参考文献：
  名称：

  Studies on cyclic dipeptides, II. Methylated modifications ofcyclo-[Phe-His]

  摘要：

  Synthesis of seven new cyclic dipeptides and their conformational analysis based on H-1 NMR spectra is reported as well as their application as models to elucidate the mechanism of cyclic dipeptide catalysis in enantioselective mandelonitrile formation. Further evidence is presented to support the view that a highly ordered supramolecular complex of dipeptides acts as catalyst.

  DOI：

  10.1007/bf00807896

文献信息

• Studies on cyclic dipeptides, II. Methylated modifications ofcyclo-[Phe-His]
  作者：C. R. Noe、A. Weigand、S. Pirker、P. Liepert

  DOI：10.1007/bf00807896

  日期：1997.3

  Synthesis of seven new cyclic dipeptides and their conformational analysis based on H-1 NMR spectra is reported as well as their application as models to elucidate the mechanism of cyclic dipeptide catalysis in enantioselective mandelonitrile formation. Further evidence is presented to support the view that a highly ordered supramolecular complex of dipeptides acts as catalyst.