(2R,4R)-N-[(2S,3R)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3R)-5-amino-1-[(2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxopentan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-1-(10,12-dimethyltetradecanoyl)-4,5-dihydroxypyrrolidine-2-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: (2R,4R)-N-[(2S,3R)-1-[(2S,4R)-2-[[(2S,3S,4S)-1-[[(2S,3R)-5-amino-1-[(2S,3S)-2-carbamoyl-3-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxopentan-2-yl]amino]-3,4-dihydroxy-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-1-(10,12-dimethyltetradecanoyl)-4,5-dihydroxypyrrolidine-2-carboxamide
• 化学式: C₅₀H₈₂N₈O₁₆
• 分子量: 1051.2
• InChiKey: UWUIBWNWWAICHW-ISZZTRKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  74
• 可旋转键数：
  28
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  399
• 氢给体数：
  14
• 氢受体数：
  17

文献信息

• LOW IMPURITY CONTENT CASPOFUNGIN PREPARATION, METHOD FOR PREPARING SAME, AND USE THEREOF
  申请人：Shanghai Techwell Biopharmaceutical Co., Ltd.

  公开号：US20140228280A1

  公开（公告）日：2014-08-14

  Disclosed is a low impurity content caspofungin pharmaceutical composition, also disclosed is a method for preparing the low impurity content caspofungin pharmaceutical composition. The caspofungin pharmaceutical composition provided in the present invention is provided with great stability.
• US9149435B2
  申请人：——

  公开号：US9149435B2

  公开（公告）日：2015-10-06