(1S,13R,14S,22S,24R,26S,28R,29S,30S,31R,34R,35S,36R,37R,41R,42R)-34-ethyl-14-(fluoromethyl)-35,36,41,42-tetrahydroxy-30-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-13-methoxy-21,24,29,31,35,37,38,41-octamethyl-25,27,33-trioxa-6,7,8,15,16,17,21,38-octazaheptacyclo[26.11.2.29,12.15,8.115,18.122,26.02,4]hexatetraconta-5(46),6,9,11,16,18(43),44-heptaen-32-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,13R,14S,22S,24R,26S,28R,29S,30S,31R,34R,35S,36R,37R,41R,42R)-34-ethyl-14-(fluoromethyl)-35,36,41,42-tetrahydroxy-30-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-13-methoxy-21,24,29,31,35,37,38,41-octamethyl-25,27,33-trioxa-6,7,8,15,16,17,21,38-octazaheptacyclo[26.11.2.29,12.15,8.115,18.122,26.02,4]hexatetraconta-5(46),6,9,11,16,18(43),44-heptaen-32-one
• 化学式: C₅₅H₈₇FN₈O₁₃
• 分子量: 1087.3
• InChiKey: GHFWJECRNOTGSW-GEIAFHJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  77
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  251
• 氢给体数：
  5
• 氢受体数：
  20

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