4-[2-[[5-[[2-Cyano-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]carbonyl-methylamino]-1-hydroxynaphthalene-2-carbonyl]amino]-4-methylphenoxy]decanoic acid;methyl 2-[[6-[(4-acetamidophenyl)carbamoyl]-5-hydroxynaphthalen-1-yl]-tetradecylcarbamoyl]oxy-5-[[5-[2-(3-methylbut-2-enoxy)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[2-[[5-[[2-Cyano-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]carbonyl-methylamino]-1-hydroxynaphthalene-2-carbonyl]amino]-4-methylphenoxy]decanoic acid;methyl 2-[[6-[(4-acetamidophenyl)carbamoyl]-5-hydroxynaphthalen-1-yl]-tetradecylcarbamoyl]oxy-5-[[5-[2-(3-methylbut-2-enoxy)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
• 英文别名: 4-[2-[[5-[[2-cyano-4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenoxy]carbonyl-methylamino]-1-hydroxynaphthalene-2-carbonyl]amino]-4-methylphenoxy]decanoic acid;methyl 2-[[6-[(4-acetamidophenyl)carbamoyl]-5-hydroxynaphthalen-1-yl]-tetradecylcarbamoyl]oxy-5-[[5-[2-(3-methylbut-2-enoxy)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate
• 化学式: C98H109N11O17S2
• 分子量: 1777.1
• InChiKey: LVMHSUJPQPWDHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  22.05
• 重原子数：
  128
• 可旋转键数：
  48
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  430
• 氢给体数：
  6
• 氢受体数：
  24