(16S,19S,22S,25S,34S,37S,40S)-22,40-bis(3-aminopropyl)-28-benzyl-8,47-dimethyl-25-(2-methylpropyl)-19,37-di(propan-2-yl)-9,46-dithia-12,18,21,24,27,30,36,39,42,43-decazahexacyclo[43.2.1.17,10.02,6.012,16.030,34]nonatetraconta-1(47),2(6),7,10(49),45(48)-pentaene-11,17,20,23,26,29,35,38,41,44-decone

• 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: (16S,19S,22S,25S,34S,37S,40S)-22,40-bis(3-aminopropyl)-28-benzyl-8,47-dimethyl-25-(2-methylpropyl)-19,37-di(propan-2-yl)-9,46-dithia-12,18,21,24,27,30,36,39,42,43-decazahexacyclo[43.2.1.17,10.02,6.012,16.030,34]nonatetraconta-1(47),2(6),7,10(49),45(48)-pentaene-11,17,20,23,26,29,35,38,41,44-decone
• 化学式: C₆₂H₈₈N₁₂O₁₀S₂
• 分子量: 1225.6
• InChiKey: HYBAWJHXZDCRKZ-LTTLYYEBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  86
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  382
• 氢给体数：
  10
• 氢受体数：
  14

文献信息

• Peptidomimetics possessing photo-controlled biological activity
  申请人：Karlsruher Institut für Technologie

  公开号：EP2769983A1

  公开（公告）日：2014-08-27

  The present invention relates to pharmaceutically and/or diagnostically active compounds, in particular peptide analogues (peptidomimetics), which can be reversibly controlled between an active and an inactive state by irradiation with light of different wavelengths. The present invention further relates to an intermediate compound usable in the manufacture of such pharmaceutically and/or diagnostically active compounds, as well as a manufacturing method thereof.

  本发明涉及具有药用和/或诊断活性的化合物，特别是肽类似物（拟肽物），通过不同波长的光照射，可在活性和非活性状态之间进行可逆控制。本发明还涉及一种可用于制造此类药用和/或诊断活性化合物的中间体化合物及其制造方法。