2-[[8-[[4-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-18-chloro-15-hydroxy-11-(4-hydroxyphenyl)-9,12-dioxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-10,13-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-14-carbonyl]amino]-2-(3,5-dihydroxyphenyl)acetic acid

• 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: 2-[[8-[[4-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-18-chloro-15-hydroxy-11-(4-hydroxyphenyl)-9,12-dioxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-10,13-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-14-carbonyl]amino]-2-(3,5-dihydroxyphenyl)acetic acid
• 英文别名: 2-[[8-[[4-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-(3-chloro-4-hydroxyphenyl)-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-18-chloro-15-hydroxy-11-(4-hydroxyphenyl)-9,12-dioxo-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-oxa-10,13-diazatricyclo[14.2.2.13,7]henicosa-1(18),3,5,7(21),16,19-hexaene-14-carbonyl]amino]-2-(3,5-dihydroxyphenyl)acetic acid
• 化学式: C₅₈H₆₄Cl₂N₈O₂₂
• 分子量: 1296.1
• InChiKey: KKSPFMCJFMZGQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  90
• 可旋转键数：
  20
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  511
• 氢给体数：
  19
• 氢受体数：
  23