2-(1-{4-[2-(4-(benzhydryloxycarbonyl)butynyl)phenyl]but-3-ynylcarbamoyl}ethylcarbamoyl)pyrrolidine-1-carboxylic acid 2H-fluoren-9-ylmethyl ester | 858940-86-0

• 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: 2-(1-{4-[2-(4-(benzhydryloxycarbonyl)butynyl)phenyl]but-3-ynylcarbamoyl}ethylcarbamoyl)pyrrolidine-1-carboxylic acid 2H-fluoren-9-ylmethyl ester
• CAS: 858940-86-0
• 化学式: C₅₁H₄₇N₃O₆
• 分子量: 797.951
• InChiKey: SCTIKUGTPFPVTK-GCQSKGKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.93
• 重原子数：
  60.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  114.04
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (S)-2-((S)-2-Amino-propionylamino)-3-phenyl-propionic acid benzhydryl ester; compound with toluene-4-sulfonic acid 、 2-(1-{4-[2-(4-(benzhydryloxycarbonyl)butynyl)phenyl]but-3-ynylcarbamoyl}ethylcarbamoyl)pyrrolidine-1-carboxylic acid 2H-fluoren-9-ylmethyl ester 在 苯甲醚 、 三氟乙酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 2-{1-[4-(2-(4-[1-(1-benzhydryloxycarbonyl-2-phenylethylcarbamoyl)ethylcarbamoyl]but-1-ynyl)phenyl)but-3-ynylcarbamoyl]ethylcarbamoyl}pyrrolidine-1-carboxylic acid 2H-fluoren-9-ylmethyl ester
  参考文献：
  名称：

  Design and synthesis of a novel enediynyl pentapeptide with predominantly β-turn structural motif and its potential as a fluorescence-based chemosensor

  摘要：

  A novel enediynyl pentapeptide in the protected form 1 was synthesized and characterized. It exists predominantly in beta-turn structural motif as revealed by variable temperature NMR and CD spectroscopy. In the presence of transition metal ions and gold nanoparticles, the fluorescence intensity of the peptide got enhanced with remarkable quantum yield with the Z-enediynyl omega-amino acid acting as a fluorophoric reporter. The interesting photophysical behaviors with alkali and alkaline earth metal ions are also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.038
• 作为产物：
  描述：

  5-[2-(4-(methanesulfonyloxy)but-1-ynyl)phenyl]pent-4-ynoic acid benzhydryl ester 在 sodium azide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 2-(1-{4-[2-(4-(benzhydryloxycarbonyl)butynyl)phenyl]but-3-ynylcarbamoyl}ethylcarbamoyl)pyrrolidine-1-carboxylic acid 2H-fluoren-9-ylmethyl ester
  参考文献：
  名称：

  Design and synthesis of a novel enediynyl pentapeptide with predominantly β-turn structural motif and its potential as a fluorescence-based chemosensor

  摘要：

  A novel enediynyl pentapeptide in the protected form 1 was synthesized and characterized. It exists predominantly in beta-turn structural motif as revealed by variable temperature NMR and CD spectroscopy. In the presence of transition metal ions and gold nanoparticles, the fluorescence intensity of the peptide got enhanced with remarkable quantum yield with the Z-enediynyl omega-amino acid acting as a fluorophoric reporter. The interesting photophysical behaviors with alkali and alkaline earth metal ions are also reported. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.03.038