12-amino-N-[3-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]propyl]dodecanamide | 911673-61-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 12-amino-N-[3-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]propyl]dodecanamide
• CAS: 911673-61-5
• 化学式: C₅₂H₁₀₀N₄O₁₃
• 分子量: 989.385
• InChiKey: BGBQHHXGXLKZIV-RGIHZOABSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  69
• 可旋转键数：
  22
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  235
• 氢给体数：
  7
• 氢受体数：
  16

文献信息

• Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification
  申请人：Culic Ognjen

  公开号：US20080241959A1

  公开（公告）日：2008-10-02

  The present invention relates to new macrolide compounds represented by the general structure I, wherein M is a macrolide, P is a photo-affinity group bearing subunit containing biotin, and L is a linking molecule, and to their pharmaceutically acceptable salts and solvates, to processes and intermediates for their preparation and to the use of these compounds for the macrolide target identification.
• US7989600B2
  申请人：——

  公开号：US7989600B2

  公开（公告）日：2011-08-02