(E)-4-[4-[[[8-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methylamino]-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-yl]amino]methyl]anilino]-4-oxobut-2-enoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-4-[4-[[[8-[[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]methylamino]-3,6,10,13,16,19-hexazabicyclo[6.6.6]icosan-1-yl]amino]methyl]anilino]-4-oxobut-2-enoic acid
• 化学式: C₃₆H₅₂N₁₀O₆
• 分子量: 720.9
• InChiKey: VQKHYCPXLLGOFW-WGDLNXRISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.6
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  229
• 氢给体数：
  12
• 氢受体数：
  14

文献信息

• Cryptate compounds
  申请人：Smith Suzanne Virginia

  公开号：US10717741B2

  公开（公告）日：2020-07-21

  Disclosed herein is a method for coupling a first compound having the formula (I) with a second compound that contains a carbonyl group. Also disclosed herein are compounds that can be formed by this method, and uses for such compounds.

  本文公开了一种将具有式（I）的第一种化合物与含有羰基的第二种化合物偶联的方法。本文还公开了可通过该方法形成的化合物，以及此类化合物的用途。
• CRYPTATE COMPOUNDS
  申请人：Smith Suzanne Virginia

  公开号：US20140219915A1

  公开（公告）日：2014-08-07

  Disclosed herein is a method for coupling a first compound having the formula (I) with a second compound that contains a carbonyl group. Also disclosed herein are compounds that can be formed by this method, and uses for such compounds.