7-[[5-Amino-1-[[9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-3-(carboxymethyl)-18-(hydroxymethyl)-6-(1-methoxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-4-[[5-amino-2-[(3-hydroxy-2,4,5,7-tetramethyloctanoyl)amino]pentanoyl]amino]-5,6-dihydroxy-7-oxoheptanoic acid

• 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: 7-[[5-Amino-1-[[9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-3-(carboxymethyl)-18-(hydroxymethyl)-6-(1-methoxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-4-[[5-amino-2-[(3-hydroxy-2,4,5,7-tetramethyloctanoyl)amino]pentanoyl]amino]-5,6-dihydroxy-7-oxoheptanoic acid
• 英文别名: 7-[[5-amino-1-[[9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-3-(carboxymethyl)-18-(hydroxymethyl)-6-(1-methoxyethyl)-10-methyl-22-(3-methylbutan-2-yl)-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-4-[[5-amino-2-[(3-hydroxy-2,4,5,7-tetramethyloctanoyl)amino]pentanoyl]amino]-5,6-dihydroxy-7-oxoheptanoic acid
• 化学式: C₇₄H₁₂₉N₁₅O₂₄
• 分子量: 1612.9
• InChiKey: GHAFERPPHQDEEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.8
• 重原子数：
  113
• 可旋转键数：
  39
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  632
• 氢给体数：
  19
• 氢受体数：
  26