Methyl 4-[(4-{N-[2-(4-{N-[(tert-butoxy)carbonylamino]carbamoyl}-N-{2-[4-(N-{[3-hydroxy-4-(methoxycarbonyl)phenyl]methyl}carbamoyl)butanoylamino]-ethyl}butanoylamino)ethyl]carbamoyl}butanoylamino)methyl]-2-hydroxybenzoate | 311343-99-4

• 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: Methyl 4-[(4-{N-[2-(4-{N-[(tert-butoxy)carbonylamino]carbamoyl}-N-{2-[4-(N-{[3-hydroxy-4-(methoxycarbonyl)phenyl]methyl}carbamoyl)butanoylamino]-ethyl}butanoylamino)ethyl]carbamoyl}butanoylamino)methyl]-2-hydroxybenzoate
• 英文别名: Methyl 2-hydroxy-4-[[[5-[2-[2-[[5-[(3-hydroxy-4-methoxycarbonylphenyl)methylamino]-5-oxopentanoyl]amino]ethyl-[5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoyl]amino]ethylamino]-5-oxopentanoyl]amino]methyl]benzoate
• CAS: 311343-99-4
• 化学式: C₄₂H₅₉N₇O₁₄
• 分子量: 885.969
• InChiKey: ILZQAKOFCBZSTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  63
• 可旋转键数：
  28
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  297
• 氢给体数：
  8
• 氢受体数：
  14

文献信息

• Bifunctional boronic compound complexing reagents and complexes
  申请人：——

  公开号：US20030105280A1

  公开（公告）日：2003-06-05

  A reagent having the general formula of General Formula I: 1 wherein group R is an electrophilic or a nucleophilic moiety suitable for reaction of the reagent with a biologically active species; group R 2 is one of H and OH moieties; group R 3 is one of an alkyl and a methylene bearing an electronegative substituent; group Z is one of (CH 2 ) n and CH 2 O(CH 2 CH 2 O) n 2 , and n is an integer of from 1 to 5, and n 2 is an integer of from 1 to 4; and each of group Z 2 and Z 3 are (CH 2 )CONH(CH 2 ) 3 CONH(CH 2 ) 2 . Also, a reagent having the general formula of General Formula II: 2 group R 2 is one of H and OH moieties; group Z is one of (CH 2 ) n and CH 2 O(CH 2 CH 2 O) n 2 , and n is an integer of from 1 to 5, and n 2 is an integer of from 1 to 4; each of group Z 2 and group Z 3 include one of (CH 2 )CONH(CH 2 ) 3 CONH(CH 2 ) 2 ; and (CH 2 )CONH(CH 2 ); and group R is an electrophilic or a nucleophilic moiety suitable for reaction of the reagent with the biologically active species.

  一种具有通式I的试剂：其中R基团是适合与生物活性物种反应的亲电性或亲核性官能团；R2基团是H和OH官能团之一；R3基团是烷基或带有电负取代基的亚甲基；Z基团是(CH2)n和 O( O)n2之一，其中n是1至5的整数，n2是1至4的整数；Z2和Z3基团均为( )CONH( )3CONH( )2。另外，一种具有通式II的试剂：其中R2基团是H和OH官能团之一；Z基团是( )n和 O( O)n2之一，其中n是1至5的整数，n2是1至4的整数；Z2和Z3基团均包括( )CONH( )3CONH( )2和( )CONH( )之一；而R基团是适合与生物活性物种反应的亲电性或亲核性官能团。
• US6156884A
  申请人：——

  公开号：US6156884A

  公开（公告）日：2000-12-05
• US6414122B1
  申请人：——

  公开号：US6414122B1

  公开（公告）日：2002-07-02
• US6870065B2
  申请人：——

  公开号：US6870065B2

  公开（公告）日：2005-03-22