(2Z,4E)-ethyl 5-(2-((S)-1-((3S,4S)-3-((S)-1-((S)-3-acetoxy-2-(tert-butoxycarbonylamino)propanoyl)pyrrolidine-2-carboxamido)-4-methyl-2-oxohexanamido)-2-(4-(benzyloxy)phenyl)ethyl)oxazol-4-yl)-2,4-dimethylpenta-2,4-dienoate | 1239920-19-4

• 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: (2Z,4E)-ethyl 5-(2-((S)-1-((3S,4S)-3-((S)-1-((S)-3-acetoxy-2-(tert-butoxycarbonylamino)propanoyl)pyrrolidine-2-carboxamido)-4-methyl-2-oxohexanamido)-2-(4-(benzyloxy)phenyl)ethyl)oxazol-4-yl)-2,4-dimethylpenta-2,4-dienoate
• 英文别名: ethyl (2Z,4E)-5-[2-[(1S)-1-[[(3S,4S)-3-[[(2S)-1-[(2S)-3-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-2-oxohexanoyl]amino]-2-(4-phenylmethoxyphenyl)ethyl]-1,3-oxazol-4-yl]-2,4-dimethylpenta-2,4-dienoate
• CAS: 1239920-19-4
• 化学式: C₄₉H₆₃N₅O₁₂
• 分子量: 914.066
• InChiKey: HTJHZCBZQNSDTF-ANJRKYFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  66
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  222
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  、 以 二氯甲烷 为溶剂， 反应 2.0h， 以80 mg的产率得到(2Z,4E)-ethyl 5-(2-((S)-1-((3S,4S)-3-((S)-1-((S)-3-acetoxy-2-(tert-butoxycarbonylamino)propanoyl)pyrrolidine-2-carboxamido)-4-methyl-2-oxohexanamido)-2-(4-(benzyloxy)phenyl)ethyl)oxazol-4-yl)-2,4-dimethylpenta-2,4-dienoate
  参考文献：
  名称：

  Preparation and biological evaluation of key fragments and open analogs of scleritodermin A

  摘要：

  The synthesis of key fragments of scleritodermin A. their assembly, and their biological evaluation as cytotoxic and anthelmintic were performed. Highlights of the synthetic route include formation of the alpha-ketoamide linkage and use of stereocontrolled reactions. Open analogs of this natural product were obtained using a convergent strategy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.05.040