[1-[6-(3-Amino-3-oxopropyl)-34-benzyl-25-ethylidene-9-hydroxy-22,28-bis(hydroxymethyl)-19-[2-(4-methoxyphenyl)ethyl]-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-31-propan-2-yl-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-10-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[butanoyl(methyl)amino]propanoate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: [1-[6-(3-Amino-3-oxopropyl)-34-benzyl-25-ethylidene-9-hydroxy-22,28-bis(hydroxymethyl)-19-[2-(4-methoxyphenyl)ethyl]-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-31-propan-2-yl-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-10-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[butanoyl(methyl)amino]propanoate
• 英文别名: [1-[6-(3-amino-3-oxopropyl)-34-benzyl-25-ethylidene-9-hydroxy-22,28-bis(hydroxymethyl)-19-[2-(4-methoxyphenyl)ethyl]-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-31-propan-2-yl-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-10-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[butanoyl(methyl)amino]propanoate
• 化学式: C₇₂H₁₀₇N₁₃O₂₁
• 分子量: 1490.7
• InChiKey: WQUIFMUZEMMABK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  106
• 可旋转键数：
  25
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  503
• 氢给体数：
  15
• 氢受体数：
  21