(4S)-4-[[2-[acetyl-[(2S)-2-[[2-[[(2S)-2-[[2-[acetyl-[(2S)-2-[[2-[[(2S)-2,6-diaminohexyl]-(2-phenylacetyl)amino]acetyl]amino]-4-methylpentyl]amino]acetyl]amino]-3-phenylpropyl]-(3-cyclohexylpropanoyl)amino]acetyl]amino]-6-aminohexyl]amino]acetyl]amino]-5-[(2-amino-2-oxoethyl)-(3-phenylpropanoyl)amino]pentanoic acid | 1383854-84-9

• 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: (4S)-4-[[2-[acetyl-[(2S)-2-[[2-[[(2S)-2-[[2-[acetyl-[(2S)-2-[[2-[[(2S)-2,6-diaminohexyl]-(2-phenylacetyl)amino]acetyl]amino]-4-methylpentyl]amino]acetyl]amino]-3-phenylpropyl]-(3-cyclohexylpropanoyl)amino]acetyl]amino]-6-aminohexyl]amino]acetyl]amino]-5-[(2-amino-2-oxoethyl)-(3-phenylpropanoyl)amino]pentanoic acid
• CAS: 1383854-84-9
• 化学式: C₇₂H₁₁₁N₁₃O₁₂
• 分子量: 1350.75
• InChiKey: GDCFCRIEYZMLFS-DYYFIOKNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  97
• 可旋转键数：
  47
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  376
• 氢给体数：
  9
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  苯乙酸 、 3-环己基丙酸 、 溶剂黄146 、 溴乙酸 、 N-(fluorenylmethyloxycarbonyl)-L-leucinal 、 tert-butyl (S)-5-(((9H-fluoren-9-yl)methoxy)carbonylamino)-6-oxohexyl-carbamate 、 Fmoc-Phe-H 、 (S)-4-((((9H-芴-9-基)甲氧基)羰基)氨基)-5-氧代戊酸叔丁酯 、 3-苯基丙酸 在 N,N'-二异丙基碳二亚胺 、 丙烯胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以22%的产率得到(4S)-4-[[2-[acetyl-[(2S)-2-[[2-[[(2S)-2-[[2-[acetyl-[(2S)-2-[[2-[[(2S)-2,6-diaminohexyl]-(2-phenylacetyl)amino]acetyl]amino]-4-methylpentyl]amino]acetyl]amino]-3-phenylpropyl]-(3-cyclohexylpropanoyl)amino]acetyl]amino]-6-aminohexyl]amino]acetyl]amino]-5-[(2-amino-2-oxoethyl)-(3-phenylpropanoyl)amino]pentanoic acid
  参考文献：
  名称：

  Solid-Phase Synthesis of γ-AApeptides Using a Submonomeric Approach

  摘要：

  The solid-phase synthesis of gamma-AApeptides using a novel submonomeric approach that utilizes an allyl protection is reported. The strategy successfully circumvents the necessity of preparing gamma-AApeptide building blocks in order to prepare gamma-AApeptide sequences. This method will maximize the potential of developing chemically diverse gamma-AApeptide libraries and thereby facilitate the biological applications of gamma-AApeptides in the future.

  DOI：

  10.1021/ol301406a

文献信息

• Solid-Phase Synthesis of γ-AApeptides Using a Submonomeric Approach
  作者：Haifan Wu、Mohamad Nassir Amin、Youhong Niu、Qiao Qiao、Nassier Harfouch、Abdelfattah Nimer、Jianfeng Cai

  DOI：10.1021/ol301406a

  日期：2012.7.6

  The solid-phase synthesis of gamma-AApeptides using a novel submonomeric approach that utilizes an allyl protection is reported. The strategy successfully circumvents the necessity of preparing gamma-AApeptide building blocks in order to prepare gamma-AApeptide sequences. This method will maximize the potential of developing chemically diverse gamma-AApeptide libraries and thereby facilitate the biological applications of gamma-AApeptides in the future.