(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-2-ethyl-8-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-[4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]phenyl]propan-2-yl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxabicyclo[12.3.0]heptadecane-4,12,16-trione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,2R,5R,6S,7S,8R,9R,11R,13R,14R)-2-ethyl-8-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-3-fluoro-1-methoxy-1-[4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]phenyl]propan-2-yl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-3,17-dioxabicyclo[12.3.0]heptadecane-4,12,16-trione
• 化学式: C₆₁H₉₃FN₄O₁₄
• 分子量: 1125.4
• InChiKey: UCSHCQRBMZTMKA-QZYORXHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  80
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  209
• 氢给体数：
  2
• 氢受体数：
  18

文献信息

• Triazole Compounds and Methods of Making and Using the Same
  申请人：Rib-X Pharmaceuticals, Inc.

  公开号：US20140088031A1

  公开（公告）日：2014-03-27

  The present invention provides triazole macrocyclic compounds useful as therapeutic agents. More particularly, these compounds are useful as anti-infective, anti-proliferative, anti-inflammatory, and prokinetic agents.

  本发明提供了三唑大环化合物，可作为治疗剂使用。更具体地说，这些化合物可用作抗感染、抗增殖、抗炎和促动力剂。
• US9006189B2
  申请人：——

  公开号：US9006189B2

  公开（公告）日：2015-04-14