tert-butyl 4-[(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[4-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]triazol-1-yl]pentanoyl]piperazine-1-carboxylate | 1192373-52-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: tert-butyl 4-[(2S)-5-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-[4-[(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]triazol-1-yl]pentanoyl]piperazine-1-carboxylate
• CAS: 1192373-52-6
• 化学式: C₃₇H₆₅N₉O₉
• 分子量: 779.978
• InChiKey: GDMBDNHEJFLBBD-URORMMCBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  55
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  208
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• DIPEPTIDE MIMICS, LIBRARIES COMBINING TWO DIPEPTIDE MIMICS WITH A THIRD GROUP, AND METHODS FOR PRODUCTION THEREOF
  申请人：Burgess Kevin

  公开号：US20090264315A1

  公开（公告）日：2009-10-22

  Monovalent compounds having moieties comprising at least one amino acid side chain are bound to a core molecule, which also comprises a nucleophilic moiety bound to said core molecule. Monovalent compounds also comprise a macrocyclic ring, a nucleophilic moiety, and a spacer group. Monovalent compounds may be combined into bivalent and trivalent compounds, some of which may have a labeling tag. Methods of production of bivalent compounds and contemplated uses thereof are disclosed.