[[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino] benzoate | 1028304-16-6

• 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: [[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino] benzoate
• CAS: 1028304-16-6
• 化学式: C₁₉H₂₈N₂O₆
• 分子量: 380.441
• InChiKey: VMJFDBBPFBNGEC-HNNXBMFYSA-N

物化性质

• 密度：
  1.139±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino] benzoate 在 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成
  参考文献：
  名称：

  Synthesis of N-Hydroxy Isopeptide Containing Proteins

  摘要：

  Chemical synthesis of a peptide-ubiquitin :conjugate linked by an N-hydroxy isopeptide bond to determine what effect the N-hydroxy group has on the enzymatic hydrolysis of the isopeptide linkage by deubiquitinases is reported: This conjugate was subjected to proteolysis, by UCH-L3 in the presence and absence of various metal ions, and no Substantive difference in hydrolysis was seen compared to a control lacking the N-hydroxy group. The accessibility of N-hydroxy ubiquitinated substrates may find uses to study other deubiquitinases in particular those which use a zinc ion as a part of their catalytic mechanism.

  DOI：

  10.1021/acs.orglett.5b01443
• 作为产物：
  描述：

  Boc-Lys-OMe acetate 、 过氧化苯甲酰 以 二氯甲烷 为溶剂， 生成 [[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]amino] benzoate
  参考文献：
  名称：

  天然铁载体诺卡霉素B的报道结构的合成

  摘要：

  据报道，天然存在的铁载体诺卡霉素B的结构已完全合成：合成材料似乎与天然产物是非对映异构的。

  DOI：

  10.1016/j.tetlet.2009.02.124

文献信息

• Synthesis of <i>N-</i>Hydroxy Isopeptide Containing Proteins
  作者：Suman Kumar Maity、Shimrit Ohayon、Ashraf Brik

  DOI：10.1021/acs.orglett.5b01443

  日期：2015.7.17

  Chemical synthesis of a peptide-ubiquitin :conjugate linked by an N-hydroxy isopeptide bond to determine what effect the N-hydroxy group has on the enzymatic hydrolysis of the isopeptide linkage by deubiquitinases is reported: This conjugate was subjected to proteolysis, by UCH-L3 in the presence and absence of various metal ions, and no Substantive difference in hydrolysis was seen compared to a control lacking the N-hydroxy group. The accessibility of N-hydroxy ubiquitinated substrates may find uses to study other deubiquitinases in particular those which use a zinc ion as a part of their catalytic mechanism.
• Synthesis of the reported structure of the naturally occurring siderophore nocardimicin B
  作者：James C. Banks、Christopher J. Moody

  DOI：10.1016/j.tetlet.2009.02.124

  日期：2009.7

  A total synthesis of the reported structure of the naturally occurring siderophore nocardimicin B is reported: the synthetic material appears to be diastereomeric with the natural product.

  据报道，天然存在的铁载体诺卡霉素B的结构已完全合成：合成材料似乎与天然产物是非对映异构的。