| 1421686-62-5

• 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
• CAS: 1421686-62-5
• 化学式: C₃₄H₃₅N₅O₄S
• 分子量: 609.749
• InChiKey: XIUIOKWLKIJLIC-PMERELPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  44.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  134.91
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  、 在 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以60%的产率得到(S)-N-((5R,14S,17S)-14-benzyl-1-(4-methoxyphenyl)-4,7,10,13,16-pentaoxo-18-phenyl-5-((tritylthio)methyl)-2,3,6,9,12,15-hexaazaoctadec-1-en-17-yl)-4-methyl-2-((S)-2-pivalamidopropanamido)pentanamide
  参考文献：
  名称：

  Efficient Assembly of Threaded Molecular Machines for Sequence-Specific Synthesis

  摘要：

  We report on an improved strategy for the preparation of artificial molecular machines that can pick up and assemble reactive groups in sequence by traveling along a track. In the new approach a preformed rotaxane synthon is attached to the end of an otherwise fully formed strand of building blocks. This "rotaxane-capping" protocol is significantly more efficient than the "final-step-threading" method employed previously and enables the synthesis of threaded molecular machines that operate on extended oligomer, and potentially polymer, tracks. The methodology is exemplified through the preparation of a machine that adds four amino acid building blocks from a strand in sequence, featuring up to 20-membered ring native chemical ligation transition states.

  DOI：

  10.1021/ja5022415