5-[4-[3-[[2-(2-Adamantylamino)-1-[2-[5-(2-amino-2-oxoethyl)-2-hydroxyphenyl]-5-hydroxy-3-methoxyphenyl]-2-oxoethyl]amino]-3-oxopropyl]-2-chlorophenoxy]-11-[2-[[2-[4-[2-(ethylamino)ethoxy]phenyl]acetyl]amino]-2-oxoethyl]-4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-methyl-14-(4-methylpentanoylamino)-10-oxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxamide

• 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: 5-[4-[3-[[2-(2-Adamantylamino)-1-[2-[5-(2-amino-2-oxoethyl)-2-hydroxyphenyl]-5-hydroxy-3-methoxyphenyl]-2-oxoethyl]amino]-3-oxopropyl]-2-chlorophenoxy]-11-[2-[[2-[4-[2-(ethylamino)ethoxy]phenyl]acetyl]amino]-2-oxoethyl]-4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-methyl-14-(4-methylpentanoylamino)-10-oxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxamide
• 英文别名: 5-[4-[3-[[2-(2-adamantylamino)-1-[2-[5-(2-amino-2-oxoethyl)-2-hydroxyphenyl]-5-hydroxy-3-methoxyphenyl]-2-oxoethyl]amino]-3-oxopropyl]-2-chlorophenoxy]-11-[2-[[2-[4-[2-(ethylamino)ethoxy]phenyl]acetyl]amino]-2-oxoethyl]-4-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-methyl-14-(4-methylpentanoylamino)-10-oxo-2-oxa-9,12-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-8-carboxamide
• 化学式: C₈₂H₁₀₀ClN₉O₁₈
• 分子量: 1535.2
• InChiKey: TXSSZJIVJWGAAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  110
• 可旋转键数：
  30
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  409
• 氢给体数：
  13
• 氢受体数：
  20