5-[4-[3-[[2-(2-Adamantylamino)-1-[2-[5-(2-amino-2-oxoethyl)-2-hydroxyphenyl]-3-methoxy-5-oxocyclohex-2-en-1-yl]-2-oxoethyl]amino]-1-hydroxy-3-oxopropyl]-2-chlorophenoxy]-4-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-methyl-14-(4-methylpentanoylamino)-11-[2-(octanoylamino)-2-oxoethyl]-10,13-dioxo-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]-3-methoxy-5-oxocyclohex-2-en-1-yl]-2-oxoethyl]amino]-1-hydroxy-3-oxopropyl]-2-chlorophenoxy]-4-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-methyl-14-(4-methylpentanoylamino)-11-[2-(octanoylamino)-2-oxoethyl]-10,13-dioxo-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]-3-methoxy-5-oxocyclohex-2-en-1-yl]-2-oxoethyl]amino]-1-hydroxy-3-oxopropyl]-2-chlorophenoxy]-4-[3-(4-amino-5-hydroxy-4,6-dimethyloxan-2-yl)oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-methyl-14-(4-methylpentanoylamino)-11-[2-(octanoylamino)-2-oxoethyl]-10,13-dioxo-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: C₈₅H₁₁₂ClN₉O₂₂
• 分子量: 1647.3
• InChiKey: JPECTYOISSGUEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  117
• 可旋转键数：
  31
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  487
• 氢给体数：
  14
• 氢受体数：
  23