(16S)-47-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-34-(2-amino-2-oxoethyl)-10,41-dichloro-19,21,24,38-tetrahydroxy-37-(4-methylpentanoylamino)-15,30,33-trioxo-N-propyl-2,8-dioxa-29,32,35-triazaheptacyclo[37.2.2.29,12.13,7.123,27.05,31.017,22]heptatetraconta-1(41),3,5,7(47),9,11,17(22),18,20,23,25,27(44),39,42,45-pentadecaene-16-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (16S)-47-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-34-(2-amino-2-oxoethyl)-10,41-dichloro-19,21,24,38-tetrahydroxy-37-(4-methylpentanoylamino)-15,30,33-trioxo-N-propyl-2,8-dioxa-29,32,35-triazaheptacyclo[37.2.2.29,12.13,7.123,27.05,31.017,22]heptatetraconta-1(41),3,5,7(47),9,11,17(22),18,20,23,25,27(44),39,42,45-pentadecaene-16-carboxamide
• 化学式: C₆₇H₈₁Cl₂N₇O₂₀
• 分子量: 1375.3
• InChiKey: RQBQJMLNPUVCQK-FTDVXFLSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  96
• 可旋转键数：
  14
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  432
• 氢给体数：
  15
• 氢受体数：
  22

文献信息

• Fibrin targeted therapeutics
  申请人：McMurry J. Thomas

  公开号：US20070111947A1

  公开（公告）日：2007-05-17

  Fibrin targeted therapeutic agents for the treatment of thromboembolism, infection, and cancer are provided.