(3aR,5S,6R,6aR)-6-(1,3-dioxoisoindolin-2-yloxy)-N-((3aR,5S,6R,6aR)-5-(isobutylcarbamoyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide | 1087204-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (3aR,5S,6R,6aR)-6-(1,3-dioxoisoindolin-2-yloxy)-N-((3aR,5S,6R,6aR)-5-(isobutylcarbamoyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
• 英文别名: (3aR,5S,6R,6aR)-6-[[(3aR,5S,6R,6aR)-6-(1,3-dioxoisoindol-2-yl)oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbonyl]amino]oxy-2,2-dimethyl-N-(2-methylpropyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
• CAS: 1087204-01-0
• 化学式: C₂₈H₃₅N₃O₁₂
• 分子量: 605.599
• InChiKey: CYIPLULZSISAFF-IXELTPFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  169
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (3aR,5S,6R,6aR)-6-(1,3-dioxoisoindolin-2-yloxy)-N-((3aR,5S,6R,6aR)-5-(isobutylcarbamoyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide 在 一水合肼 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  β-Sugar Aminoxy Peptides As Rigid Secondary Structural Scaffolds

  摘要：

  Short homo-oligomers of a new building block, cis-beta(2,3)-furanoid sugar aminoxy acid. are designed, characterized. and found to exhibit rigid ribbon-like secondary structures composed of 5/7 bifurcated intramolecular hydrogen bonds.

  DOI：

  10.1021/jo801810z
• 作为产物：
  描述：

  (3aR,5S,6R,6aR)-6-(aminooxy)-N-isobutyl-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide 、 (3aR,5S,6R,6aR)-6-(1,3-dioxoisoindol-2-yl)oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxylic 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 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.17h， 以61%的产率得到(3aR,5S,6R,6aR)-6-(1,3-dioxoisoindolin-2-yloxy)-N-((3aR,5S,6R,6aR)-5-(isobutylcarbamoyl)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxol-6-yloxy)-2,2-dimethyl-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide
  参考文献：
  名称：

  β-Sugar Aminoxy Peptides As Rigid Secondary Structural Scaffolds

  摘要：

  Short homo-oligomers of a new building block, cis-beta(2,3)-furanoid sugar aminoxy acid. are designed, characterized. and found to exhibit rigid ribbon-like secondary structures composed of 5/7 bifurcated intramolecular hydrogen bonds.

  DOI：

  10.1021/jo801810z

文献信息

• β-Sugar Aminoxy Peptides As Rigid Secondary Structural Scaffolds
  作者：Srivari Chandrasekhar、Chennamaneni Lohitha Rao、Marepally Srinivasa Reddy、Ganti Dattatreya Sharma、Marelli Udaya Kiran、Police Naresh、Gunturu Krishna Chaitanya、Kotamarthi Bhanuprakash、Bharatam Jagadeesh

  DOI：10.1021/jo801810z

  日期：2008.12.5

  Short homo-oligomers of a new building block, cis-beta(2,3)-furanoid sugar aminoxy acid. are designed, characterized. and found to exhibit rigid ribbon-like secondary structures composed of 5/7 bifurcated intramolecular hydrogen bonds.