methyl (3S,6S,9S,12E)-6-methyl-7-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1-oxa-5,8-diazacyclotetradec-12-ene-9-carboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: methyl (3S,6S,9S,12E)-6-methyl-7-methylidene-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1-oxa-5,8-diazacyclotetradec-12-ene-9-carboxylate
• 化学式: C₂₀H₃₃N₃O₆
• 分子量: 411.5
• InChiKey: GYTWWILMOCHYIN-OXXBSZFMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES MACROCYCLIQUES À LARGE SPECTRE
  申请人：RQX PHARMACEUTICALS INC

  公开号：WO2014081886A1

  公开（公告）日：2014-05-30

  Provided herein are antibacterial compounds, wherein the compounds in some embodiments have broad spectrum bioactivity. In various embodiments, the compounds act by inhibition of bacterial type (1) signal peptidase (SpsB), an essential protein in bacteria. Pharmaceutical compositions and methods for treatment using the compounds described herein are also provided.