[1-[35-(3-Amino-3-oxopropyl)-10-butan-2-yl-16-ethylidene-32-hydroxy-19-(1-hydroxyethyl)-13-(hydroxymethyl)-22-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,17,20,23,29,33,36,39-undecaoxo-3,9,12,15,18,21,24,30,34,37,43-undecazatetracyclo[38.2.1.03,7.024,28]tritetracontan-31-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: [1-[35-(3-Amino-3-oxopropyl)-10-butan-2-yl-16-ethylidene-32-hydroxy-19-(1-hydroxyethyl)-13-(hydroxymethyl)-22-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,17,20,23,29,33,36,39-undecaoxo-3,9,12,15,18,21,24,30,34,37,43-undecazatetracyclo[38.2.1.03,7.024,28]tritetracontan-31-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
• 英文别名: [1-[35-(3-amino-3-oxopropyl)-10-butan-2-yl-16-ethylidene-32-hydroxy-19-(1-hydroxyethyl)-13-(hydroxymethyl)-22-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,17,20,23,29,33,36,39-undecaoxo-3,9,12,15,18,21,24,30,34,37,43-undecazatetracyclo[38.2.1.03,7.024,28]tritetracontan-31-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
• 化学式: C₇₄H₁₀₉N₁₃O₂₂
• 分子量: 1532.7
• InChiKey: CHYGXIWSPNAZCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  109
• 可旋转键数：
  24
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  523
• 氢给体数：
  16
• 氢受体数：
  23