(2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxypropanoic acid | 1207858-04-5

• 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: (2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxypropanoic acid
• CAS: 1207858-04-5
• 化学式: C₁₉H₃₂N₂O₁₀
• 分子量: 448.47
• InChiKey: XBEOXXJVHNGOLD-HRNUKNRHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  151
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxypropanoic acid 、 ethyl (2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-aminopropanoyl]amino]oxypropanoate;2,2,2-trifluoroacetic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.25h， 以52%的产率得到ethyl (2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[[(2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxypropanoyl]amino]propanoyl]amino]oxypropanoate
  参考文献：
  名称：

  Self-Assembling Cyclic Tetrapeptide from Alternating C-Linked Carbo-β-amino Acid [(S)-β-Caa] and α-Aminoxy Acid [(R)-Ama]: A Selective Chloride Ion Receptor

  摘要：

  A cyclic tetrapeptide is prepared from alternating (S)-beta-Caa (C-linked carbo-beta-amino acid) and (R)-Ama (alpha-aminoxy acid). Extensive NMR (in CDCl(3) solution) and mass spectral (MS) studies show its halide binding capacity, with a special affinity to the chloride ion. At higher concentration it was found to form molecular aggregates its evidenced from transmission electron microscopic and atomic force microscopic analysis, confirming the formation of nanorods.

  DOI：

  10.1021/jo901923q
• 作为产物：
  描述：

  ethyl (2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxypropanoate 在 水 、 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 以90%的产率得到(2R)-2-[[(3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxypropanoic acid
  参考文献：
  名称：

  Self-Assembling Cyclic Tetrapeptide from Alternating C-Linked Carbo-β-amino Acid [(S)-β-Caa] and α-Aminoxy Acid [(R)-Ama]: A Selective Chloride Ion Receptor

  摘要：

  A cyclic tetrapeptide is prepared from alternating (S)-beta-Caa (C-linked carbo-beta-amino acid) and (R)-Ama (alpha-aminoxy acid). Extensive NMR (in CDCl(3) solution) and mass spectral (MS) studies show its halide binding capacity, with a special affinity to the chloride ion. At higher concentration it was found to form molecular aggregates its evidenced from transmission electron microscopic and atomic force microscopic analysis, confirming the formation of nanorods.

  DOI：

  10.1021/jo901923q

文献信息

• Self-Assembling Cyclic Tetrapeptide from Alternating C-Linked Carbo-β-amino Acid [(<i>S</i>)-β-Caa] and α-Aminoxy Acid [(<i>R</i>)-Ama]: A Selective Chloride Ion Receptor
  作者：Gangavaram V. M. Sharma、Vennampalli Manohar、Samit Kumar Dutta、Bojja Sridhar、Venna Ramesh、Ragampeta Srinivas、Ajit C. Kunwar

  DOI：10.1021/jo901923q

  日期：2010.2.19

  A cyclic tetrapeptide is prepared from alternating (S)-beta-Caa (C-linked carbo-beta-amino acid) and (R)-Ama (alpha-aminoxy acid). Extensive NMR (in CDCl(3) solution) and mass spectral (MS) studies show its halide binding capacity, with a special affinity to the chloride ion. At higher concentration it was found to form molecular aggregates its evidenced from transmission electron microscopic and atomic force microscopic analysis, confirming the formation of nanorods.