methyl (2S)-2-[[(2S)-2-[[(2R)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentyl]amino]-2-oxo-1-phenylethyl]-4-oxoazetidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoate | 1338053-68-1

• 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-[[(2R)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentyl]amino]-2-oxo-1-phenylethyl]-4-oxoazetidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoate
• CAS: 1338053-68-1
• 化学式: C₄₂H₅₁N₅O₈
• 分子量: 753.896
• InChiKey: VDKDMBUTJWJENA-AEGDGSAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  55
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  172
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (9H-fluoren-9-yl)methyl (S)-1-isocyano-4-methylpentan-2-ylcarbamate 、 苯甲醛 、 H-Asp-Ala-Val-OMe 以 甲醇 为溶剂， 反应 48.0h， 以64%的产率得到methyl (2S)-2-[[(2S)-2-[[(2R)-1-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentyl]amino]-2-oxo-1-phenylethyl]-4-oxoazetidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoate
  参考文献：
  名称：

  Synthesis of β-lactam peptidomimetics through Ugi MCR: first application of chiral Nβ-Fmoc amino alkyl isonitriles in MCRs

  摘要：

  Chiral N-beta-Fmoc amino alkyl isonitriles were employed in Ugi multi component reactions (Ugi 4C-3CR) to obtain functionalized beta-lactam peptidomimetics with L-aspartic acid alpha-methyl ester/peptide ester and organic aldehydes. The reactions were carried out in MeOH. Thirteen Ugi products have been prepared in good to moderate yields with good diastereoselectivities. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.08.090

文献信息

• Synthesis of β-lactam peptidomimetics through Ugi MCR: first application of chiral Nβ-Fmoc amino alkyl isonitriles in MCRs
  作者：T.M. Vishwanatha、N. Narendra、Vommina V. Sureshbabu

  DOI：10.1016/j.tetlet.2011.08.090

  日期：2011.10

  Chiral N-beta-Fmoc amino alkyl isonitriles were employed in Ugi multi component reactions (Ugi 4C-3CR) to obtain functionalized beta-lactam peptidomimetics with L-aspartic acid alpha-methyl ester/peptide ester and organic aldehydes. The reactions were carried out in MeOH. Thirteen Ugi products have been prepared in good to moderate yields with good diastereoselectivities. (C) 2011 Elsevier Ltd. All rights reserved.