[(S)-1-((S)-1-{(S)-1-[(6'-Methyl-[2,2']bipyridinyl-6-ylmethyl)-carbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester | 145250-73-3

• 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: [(S)-1-((S)-1-{(S)-1-[(6'-Methyl-[2,2']bipyridinyl-6-ylmethyl)-carbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[6-(6-methylpyridin-2-yl)pyridin-2-yl]methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
• CAS: 145250-73-3
• 化学式: C₂₆H₃₆N₆O₅
• 分子量: 512.609
• InChiKey: XVKYGUCOOVKZDR-BZSNNMDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  151
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  Boc-Ala-Ala-Ala-OH 、 6-Aminomethyl-6'-methyl-2,2'-bipyridine 在 N,N'-二环己基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以59%的产率得到[(S)-1-((S)-1-{(S)-1-[(6'-Methyl-[2,2']bipyridinyl-6-ylmethyl)-carbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Bipyridyl amino acid-metal complexes and their characterization by electrospray mass spectrometry

  摘要：

  The syntheses of bipyridylalanine and related bipyridyl-functionalized peptide derivatives are described. The copper complexes of several peptide-bipyridyls were prepared and characterized. Application of electrospray ionization mass spectrometry to the structure determination of cationic bipyridyl Cu+ complexes 2 and 3, as well as peptide-metal complexes 18-22, was explored.

  DOI：

  10.1021/jo00051a049

文献信息

• Bipyridyl amino acid-metal complexes and their characterization by electrospray mass spectrometry
  作者：Stephen R. Wilson、Arfa Yasmin、Yunhui Wu

  DOI：10.1021/jo00051a049

  日期：1992.12

  The syntheses of bipyridylalanine and related bipyridyl-functionalized peptide derivatives are described. The copper complexes of several peptide-bipyridyls were prepared and characterized. Application of electrospray ionization mass spectrometry to the structure determination of cationic bipyridyl Cu+ complexes 2 and 3, as well as peptide-metal complexes 18-22, was explored.