(2E,4E,6E)-7-[(1R,2S,6S)-4-((2E,4E)-5-Cyclohexyl-penta-2,4-dienoylamino)-2-hydroxy-5-oxo-7-oxa-bicyclo[4.1.0]hept-3-en-2-yl]-hepta-2,4,6-trienoic acid (2-hydroxy-5-oxo-cyclopent-1-enyl)-amide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2E,4E,6E)-7-[(1R,2S,6S)-4-((2E,4E)-5-Cyclohexyl-penta-2,4-dienoylamino)-2-hydroxy-5-oxo-7-oxa-bicyclo[4.1.0]hept-3-en-2-yl]-hepta-2,4,6-trienoic acid (2-hydroxy-5-oxo-cyclopent-1-enyl)-amide
• 英文别名: (2E,4E,6E)-7-[(1R,2S,6S)-4-[[(2E,4E)-5-cyclohexylpenta-2,4-dienoyl]amino]-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl]-N-(2-hydroxy-5-oxocyclopenten-1-yl)hepta-2,4,6-trienamide
• 化学式: C₂₉H₃₂N₂O₇
• 分子量: 520.582
• InChiKey: JNNCGBMBOYDZEW-GWXXEPQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  145
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2E,4E,6E)-7-[(1R,2S,6S)-4-((2E,4E)-5-Cyclohexyl-penta-2,4-dienoylamino)-2-hydroxy-5-oxo-7-oxa-bicyclo[4.1.0]hept-3-en-2-yl]-hepta-2,4,6-trienoic acid (2-hydroxy-5-oxo-cyclopent-1-enyl)-amide 在 chromium(VI) oxide 、 溶剂黄146 作用下， 反应 7.0h， 以0.46 mg的产率得到2-(5-cyclohexylpenta-2'E,4'E-dienoylamino)-5,6-epoxy-1,4-benzoquinone
  参考文献：
  名称：

  EI-1511-3, -S and EI-1625-2, Novel Interleukin-l.BETA. Conveffing Enzyme Inhibitors Produced by Streptomyces sp. E-1511 and E-1625. II. Structure Determination.

  摘要：

  The structures of three novel interleukin-1β converting enzyme inhibitors, EI-1511-3, -5 and EI-1625-2 were determined by spectroscopic methods. Their absolute configurations were also determined by analyses of the CD spectra of the inhibitors and their oxidation products with chromium trioxide.

  DOI：

  10.7164/antibiotics.49.1079