cyclo[Leu-Orn-Val-Orn-Leu-D-Phe-Pro-Val-Orn-Leu-Orn-Val-D-Phe-Pro] | 1207275-82-8

• 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: cyclo[Leu-Orn-Val-Orn-Leu-D-Phe-Pro-Val-Orn-Leu-Orn-Val-D-Phe-Pro]
• 英文别名: (3R,6S,9S,12S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S)-9,15,33,39-tetrakis(3-aminopropyl)-3,27-dibenzyl-6,18,36-tris(2-methylpropyl)-12,30,42-tri(propan-2-yl)-1,4,7,10,13,16,19,25,28,31,34,37,40,43-tetradecazatricyclo[43.3.0.021,25]octatetracontane-2,5,8,11,14,17,20,26,29,32,35,38,41,44-tetradecone
• CAS: 1207275-82-8
• 化学式: C₈₁H₁₃₂N₁₈O₁₄
• 分子量: 1582.05
• InChiKey: TUNQREUTQZFFOM-SAWFECHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  113
• 可旋转键数：
  25
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  494
• 氢给体数：
  16
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  H-D-Phe-Pro-Val-Orn-Leu-Orn-Val-D-Phe-Pro-Leu-Orn-Val-Orn-Leu-OH 反应 4.0h， 以56%的产率得到cyclo[Leu-Orn-Val-Orn-Leu-D-Phe-Pro-Val-Orn-Leu-Orn-Val-D-Phe-Pro]
  参考文献：
  名称：

  Solvent-Free Thermocyclization of the Unactivated Linear Gramicidin S Precursor and Analogues

  摘要：

  A convenient thermocyclization of the linear gramicidin S precursor and its analogues is demonstrated. With the preorganized beta-sheet conformation, the unactivated linear precursors can cyclize into the corresponding head-to-tail cyclic products in high yield after being heated under solvent-free conditions.

  DOI：

  10.1021/ol102800j

文献信息

• Solvent-Free Thermocyclization of the Unactivated Linear Gramicidin S Precursor and Analogues
  作者：Lin-Kun An、Run-Lin Li、Ying-Lin Zuo、Lian-Quan Gu

  DOI：10.1021/ol102800j

  日期：2011.1.7

  A convenient thermocyclization of the linear gramicidin S precursor and its analogues is demonstrated. With the preorganized beta-sheet conformation, the unactivated linear precursors can cyclize into the corresponding head-to-tail cyclic products in high yield after being heated under solvent-free conditions.