(2S)-N-[(3S,6S,7R,10S,13S,16S,19R)-10,16-bis[(2S)-butan-2-yl]-22-hydroxy-13-[(4-hydroxyphenyl)methyl]-7,14-dimethyl-3-(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-2-(2-methylpropanoylamino)pentanediamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (2S)-N-[(3S,6S,7R,10S,13S,16S,19R)-10,16-bis[(2S)-butan-2-yl]-22-hydroxy-13-[(4-hydroxyphenyl)methyl]-7,14-dimethyl-3-(2-methylpropyl)-2,5,9,12,15,18-hexaoxo-8-oxa-1,4,11,14,17-pentazabicyclo[17.3.0]docosan-6-yl]-2-(2-methylpropanoylamino)pentanediamide
• 化学式: C₄₆H₇₂N₈O₁₂
• 分子量: 929.1
• InChiKey: NESBPILIQKJJMR-UNXHGGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  66
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  296
• 氢给体数：
  8
• 氢受体数：
  12

文献信息

• Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates
  申请人：Acemoglu Murat

  公开号：US20140080995A1

  公开（公告）日：2014-03-20

  The invention relates to a method or process for the chemical manufacture of depsipeptides of the formula I, wherein the symbols have the meaning defined in the description, to new intermediates and their manufacture, as well as related invention embodiments.
• US9278997B2
  申请人：——

  公开号：US9278997B2

  公开（公告）日：2016-03-08