(3R)-3-methyl-4-[[(1S,3R,6S,8R,11S,13R,16S,18S,21S,23S,26S,28S,33R,37S,38R,41S,43S,45S,47S)-15,31,36,37,38,39,40,41,42,43,44,45,46,47-tetradecahydroxy-28-[(1S)-1-hydroxyethyl]-5,20,30,35-tetrakis(hydroxymethyl)-25-[[(2R)-2-methyl-3-oxobutyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaheptacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26]heptatetracontan-10-yl]methylsulfanyl]butan-2-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3R)-3-methyl-4-[[(1S,3R,6S,8R,11S,13R,16S,18S,21S,23S,26S,28S,33R,37S,38R,41S,43S,45S,47S)-15,31,36,37,38,39,40,41,42,43,44,45,46,47-tetradecahydroxy-28-[(1S)-1-hydroxyethyl]-5,20,30,35-tetrakis(hydroxymethyl)-25-[[(2R)-2-methyl-3-oxobutyl]sulfanylmethyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaheptacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26]heptatetracontan-10-yl]methylsulfanyl]butan-2-one
• 化学式: C₅₁H₈₆O₃₅S₂
• 分子量: 1323.3
• InChiKey: WVRRRMGZJCPWDK-KJLHNHAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.6
• 重原子数：
  88
• 可旋转键数：
  15
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  598
• 氢给体数：
  19
• 氢受体数：
  37

文献信息

• Cyclodextrin-Based Polymers for Therapeutic Delivery
  申请人：Cerulean Pharma Inc.

  公开号：US20140213504A1

  公开（公告）日：2014-07-31

  Described herein are CDP-therapeutic peptide conjugates, therapeutic delivery systems comprising CDP-therapeutic peptide conjugates, compositions comprising CDP-therapeutic peptide conjugates, dosage forms comprising CDP-therapeutic peptide conjugates, and kits comprising CDP-therapeutic peptide conjugates. Also disclosed are methods of using (e.g., to treat a disorder) the CDP-therapeutic peptide conjugates, therapeutic delivery systems comprising CDP-therapeutic peptide conjugates, compositions comprising CDP-therapeutic peptide conjugates, dosage forms comprising CDP-therapeutic peptide conjugates, and kits comprising CDP-therapeutic peptide conjugates.