2-[[2-[2-[2-[2-[2-[1-[[2-[[2-[2-[2-[2-[2-[4-(Diaminomethylideneamino)-1-(dimethylamino)butyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylpentanoyl]amino]-2-methylbutyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoic acid

• 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: 2-[[2-[2-[2-[2-[2-[1-[[2-[[2-[2-[2-[2-[2-[4-(Diaminomethylideneamino)-1-(dimethylamino)butyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylpentanoyl]amino]-2-methylbutyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoic acid
• 英文别名: 2-[[2-[2-[2-[2-[2-[1-[[2-[[2-[2-[2-[2-[2-[4-(diaminomethylideneamino)-1-(dimethylamino)butyl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-5-methyl-1,3-oxazol-4-yl]-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylpentanoyl]amino]-2-methylbutyl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoic acid
• 化学式: C₆₃H₆₉N₁₇O₁₃S₂
• 分子量: 1336.5
• InChiKey: SKALCVOFYPVXLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  95
• 可旋转键数：
  28
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  478
• 氢给体数：
  6
• 氢受体数：
  27