(2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-[3-(2,5-dioxopyrrol-1-yl)propoxy]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-[3-(2,5-dioxopyrrol-1-yl)propoxy]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
• 化学式: C₃₂H₅₂N₂O₁₁
• 分子量: 640.8
• InChiKey: WFGQDUABQIYZBO-DDXDTCOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  45
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  151
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• PEDERIN AND PSYMBERIN AGENTS
  申请人：Floreancig Paul Edward

  公开号：US20140161877A1

  公开（公告）日：2014-06-12

  Compounds that include a pederin, psymberin or pederin/psymberin chimera scaffold. The pederin scaffold includes a substituent at the C10 and/or C13 position that may include a linker that may be conjugated to a targeting moiety. The psymberin scaffold includes a substituent at the C8 and/or C11 positions that may include a linker that may be conjugated to a targeting moiety. The pederin/psymberin chimera scaffold includes a substituent at the C10 and/or C13 position that may include a linker that may be conjugated to a targeting moiety. The pederin, psymberin or pederin/psymberin chimera scaffold may be modified to include substituents at positions other than the C10 or C13 of pederin, or the C8 and C11 of psymberin.
• US9364555B2
  申请人：——

  公开号：US9364555B2

  公开（公告）日：2016-06-14