(2S)-2-amino-3-[[(1R,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,39S,41S,43S,45S,46R,48R)-25-[[(2S)-2-amino-2-carboxyethyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30-tetrakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanyl]propanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S)-2-amino-3-[[(1R,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,39S,41S,43S,45S,46R,48R)-25-[[(2S)-2-amino-2-carboxyethyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,30-tetrakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanyl]propanoic acid
• 化学式: C₄₇H₇₈N₂O₃₆S₂
• 分子量: 1311.2
• InChiKey: MNJNASVNUWEBFJ-XRUDLHPPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -18.9
• 重原子数：
  87
• 可旋转键数：
  14
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  671
• 氢给体数：
  22
• 氢受体数：
  40

文献信息

• US20140274947A1
  申请人：——

  公开号：US20140274947A1

  公开（公告）日：2014-09-18