(5S,8S,10aR)-5-[[(2S)-2-aminopropanoyl]amino]-N-[(4-fluorophenyl)methyl]-6-oxo-3-(2-phenylacetyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (5S,8S,10aR)-5-[[(2S)-2-aminopropanoyl]amino]-N-[(4-fluorophenyl)methyl]-6-oxo-3-(2-phenylacetyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
• 化学式: C₂₈H₃₄FN₅O₄
• 分子量: 523.6
• InChiKey: QOYYDWNCLBNVIE-QODFHFCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• DIAZO BICYCLIC SMAC MIMETICS AND THE USES THEREOF
  申请人：The Regents of the University of Michigan

  公开号：EP2139490B1

  公开（公告）日：2014-07-02
• Organic Electroluminescent Element, Material for Organic Electroluminescent Element, Light Emitting Device, Display Device and Lighting Device Each Using Said Element, and Compound Used for Said Element
  申请人：Yamamoto Yosuke

  公开号：US20140319507A1

  公开（公告）日：2014-10-30

  This application relates, in part, to an organic electroluminescent element including a substrate, a pair of electrodes including an anode and a cathode, disposed on the substrate, and at least one organic layer including a light emitting layer, disposed between the electrodes, in which at least one layer of the organic layer(s) contains a compound represented by the following formula (1). The organic electroluminescent element has low driving voltage and excellent durability. wherein X 1 to X 11 represent CR 0 or N, and R 0 represents a hydrogen atom or a substituent. Adjacent two of X 1 to X 11 each independently represent at least CR 0 , R 0 s of the adjacent two CR 0 s are bonded to each other to form a ring, and only one R 0 of the adjacent two CR 0 s represents an aryl group or a heteroaryl group.