(2S)-N-[(4-carbamimidoylphenyl)methyl]-5-(diaminomethylamino)-2-[2-[(2S)-1-[[(4S)-1-(diaminomethylamino)-5,6-dioxohenicosan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]hydrazinyl]pentanamide

• 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: (2S)-N-[(4-carbamimidoylphenyl)methyl]-5-(diaminomethylamino)-2-[2-[(2S)-1-[[(4S)-1-(diaminomethylamino)-5,6-dioxohenicosan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]hydrazinyl]pentanamide
• 化学式: C₄₁H₇₈N₁₂O₄
• 分子量: 803.1
• InChiKey: OHKPKEYAGIIBFH-BVPJJHLOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  57
• 可旋转键数：
  36
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  294
• 氢给体数：
  12
• 氢受体数：
  13

文献信息

• N-TERMINAL MODIFIZIERTE TETRAPEPTIDDERIVATE MIT C-TERMINALEM ARGININMIMETIKUM
  申请人：Philipps-Universität Marburg

  公开号：EP2349312B1

  公开（公告）日：2014-06-04
• N-TERMINALLY MODIFIED TETRAPEPTIDE DERIVATIVES HAVING A C-TERMINAL ARGININE MIMETIC
  申请人：Steinmetzer Torsten

  公开号：US20110312873A1

  公开（公告）日：2011-12-22

  The invention refers to multibasic, N-terminally modified tetrapeptide mimetics with a C-terminal P1-arginine mimetic, methods for their production and use for therapy and prophylaxis of diseases, caused by bacterial pathogens or viruses, as well as for therapy and prophylaxis of diabetes, arteriosclerosis, cancer, Alzheimer's or the onset of obesity, as well as the use of these compounds as inhibitors of the proprotein convertases which cleave behind basic P1 residues, especially for inhibition of the protease furin.