methyl (2S)-2-[[(2S)-2-[[2-[2-[[2-[2-[2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]anilino]-2-oxoacetyl]amino]phenyl]-2-oxoacetyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoate | 1021907-05-0

• 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: methyl (2S)-2-[[(2S)-2-[[2-[2-[[2-[2-[2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]anilino]-2-oxoacetyl]amino]phenyl]-2-oxoacetyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoate
• CAS: 1021907-05-0
• 化学式: C₄₈H₅₂N₆O₁₂
• 分子量: 904.974
• InChiKey: PMCPHPLTOCOPFS-ZQWQDMLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  66
• 可旋转键数：
  22
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  261
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  Val-Phe-OMe*HCl 、 N,N'-oxalyl-bis-isatin 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 24.0h， 以23%的产率得到methyl (2S)-2-[[(2S)-2-[[2-[2-[[2-[2-[2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoacetyl]anilino]-2-oxoacetyl]amino]phenyl]-2-oxoacetyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoate
  参考文献：
  名称：

  Facile ring-opening of N-acylisatins for the development of novel peptidomimetics

  摘要：

  A range of novel mono- and bis-glyoxylamide peptidomimetics were prepared via the facile ring-opening of N-acylisatins with amino acids and peptide derivatives. The ring-opening of N-acylisatins with dipeptides and tripeptides was discovered to be the most efficient strategy for the synthesis of second and third generation glyoxylamides. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.07.036

文献信息

• Synthesis of anti-bacterial peptidomimetics derived from N-acylisatins
  作者：Wai Ching Cheah、David StC Black、Wai Kean Goh、Naresh Kumar

  DOI：10.1016/j.tetlet.2008.03.007

  日期：2008.4

  An efficient synthetic strategy to mono- and bis-glyoxylamide derivatives via the reaction of N-acylisatins with a range of amino acids has been developed. Using this strategy, a series of new peptidomimetics have been synthesized. (c) 2008 Elsevier Ltd. All rights reserved.
• Facile ring-opening of N-acylisatins for the development of novel peptidomimetics
  作者：Wai Ching Cheah、Kasey Wood、David StC Black、Naresh Kumar

  DOI：10.1016/j.tet.2011.07.036

  日期：2011.9

  A range of novel mono- and bis-glyoxylamide peptidomimetics were prepared via the facile ring-opening of N-acylisatins with amino acids and peptide derivatives. The ring-opening of N-acylisatins with dipeptides and tripeptides was discovered to be the most efficient strategy for the synthesis of second and third generation glyoxylamides. (C) 2011 Elsevier Ltd. All rights reserved.