N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyloxybenzoylamino)butyl>-2-benzyloxybenzoyl-L-valylamide | 161219-97-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyloxybenzoylamino)butyl>-2-benzyloxybenzoyl-L-valylamide
• 英文别名: N-[3-(2,3-dibenzyloxybenzoylamino)propyl]-N-[4-(2,3-dibenzyloxybenzoylamino)butyl]-2-benzyloxybenzoyl-L-valylamide
• CAS: 161219-97-2
• 化学式: C₆₈H₇₀N₄O₉
• 分子量: 1087.33
• InChiKey: BNROCSORDJNOSU-PNVGIOEQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.19
• 重原子数：
  81.0
• 可旋转键数：
  30.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  153.76
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyloxybenzoylamino)butyl>-2-benzyloxybenzoyl-L-valylamide 在 palladium hydroxide - carbon 作用下， 以 乙醇 、 环己烯 为溶剂， 反应 3.0h， 以69%的产率得到3-<(2,3-dihydroxybenzoylamino)propyl>-N-<4-(2,3-dihydroxy-benzoylamino)butyl>-2-hydroxybenzoyl-L-valylamide
  参考文献：
  名称：

  New synthetic probes of the iron transport system of Paracoccus denitrificans

  摘要：

  A range of analogues of parabactin A 4 and agrobactin A 5 have been synthesised. All these comounds were able to chelate iron, and to promote the growth of iron-starved Paracoccus denitrificans to varying degrees. A degree of flexibilty in the siderophore receptor system is thus demonstrated which may be exploitable for the transport of new siderophore - antibiotic conjugates.

  DOI：

  10.1016/s0040-4020(01)85669-6
• 作为产物：
  描述：

  (S)-2-(2-Benzyloxy-benzoylamino)-3-methyl-butyric acid methyl ester 在 4-二甲氨基吡啶 、 sodium hydroxide 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-<3-(2,3-dibenzyloxybenzoylamino)propyl>-N-<4-(2,3-dibenzyloxybenzoylamino)butyl>-2-benzyloxybenzoyl-L-valylamide
  参考文献：
  名称：

  New synthetic probes of the iron transport system of Paracoccus denitrificans

  摘要：

  A range of analogues of parabactin A 4 and agrobactin A 5 have been synthesised. All these comounds were able to chelate iron, and to promote the growth of iron-starved Paracoccus denitrificans to varying degrees. A degree of flexibilty in the siderophore receptor system is thus demonstrated which may be exploitable for the transport of new siderophore - antibiotic conjugates.

  DOI：

  10.1016/s0040-4020(01)85669-6