| 142824-72-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• CAS: 142824-72-4
• 化学式: C₇₂H₉₀N₁₀O₁₄S₄
• 分子量: 1447.83
• InChiKey: KYINNWFACSLBLJ-BFNAIIQASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.28
• 重原子数：
  100.0
• 可旋转键数：
  8.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  324.12
• 氢给体数：
  6.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  在 氨 、 sodium 作用下， 以30%的产率得到
  参考文献：
  名称：

  Synthesis of Doubly Cross-Linked Cyclic Hexapeptides

  摘要：

  Cyclic hexapeptides in which the adjacent N(epsilon)-nitrogens of cyclo-(Lys-Lys-Gly)2 are cross-linked by p-xylyl or (CH2)6 units have been prepared. The key steps in the syntheses of these novel types of peptide were the use of tosyl (or, less efficiently, trifluoroacetyl) as N(epsilon)-protection that allowed intramolecular cross-linking of the tripeptides Boc-Lys(R)-Lys(R)-Gly-OMe (R = Ts or CF3CO) using alpha,omega-dibromo-alkanes/ Cs2CO3, and the efficient cyclo-dimerisation of the pentafluoro-phenyl esters of the resultant cross-linked tripeptides.

  DOI：

  10.1016/s0040-4039(00)79854-6
• 作为产物：
  描述：

  {[(8R,11R)-11-Amino-10-oxo-3,16-bis-(toluene-4-sulfonyl)-3,9,16-triaza-bicyclo[16.2.2]docosa-1(21),18(22),19-triene-8-carbonyl]-amino}-acetic acid pentafluorophenyl ester; compound with trifluoro-acetic acid 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  Synthesis of Doubly Cross-Linked Cyclic Hexapeptides

  摘要：

  Cyclic hexapeptides in which the adjacent N(epsilon)-nitrogens of cyclo-(Lys-Lys-Gly)2 are cross-linked by p-xylyl or (CH2)6 units have been prepared. The key steps in the syntheses of these novel types of peptide were the use of tosyl (or, less efficiently, trifluoroacetyl) as N(epsilon)-protection that allowed intramolecular cross-linking of the tripeptides Boc-Lys(R)-Lys(R)-Gly-OMe (R = Ts or CF3CO) using alpha,omega-dibromo-alkanes/ Cs2CO3, and the efficient cyclo-dimerisation of the pentafluoro-phenyl esters of the resultant cross-linked tripeptides.

  DOI：

  10.1016/s0040-4039(00)79854-6