2-[22-[[5-Amino-2-[[7-amino-4-[[5-amino-2-[(3-hydroxy-2,4,6-trimethyloctanoyl)amino]pentanoyl]amino]-2,3-dihydroxy-7-oxoheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-10-(3-amino-3-oxopropyl)-16-(3-aminopropyl)-19-(hydroxymethyl)-6-(1-methoxyethyl)-11-methyl-23-(3-methylbutan-2-yl)-13-(2-methylpropyl)-2,5,8,12,15,18,21,25-octaoxo-24-oxa-1,4,7,11,14,17,20-heptazabicyclo[24.4.0]triacontan-3-yl]acetic 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: 2-[22-[[5-Amino-2-[[7-amino-4-[[5-amino-2-[(3-hydroxy-2,4,6-trimethyloctanoyl)amino]pentanoyl]amino]-2,3-dihydroxy-7-oxoheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-10-(3-amino-3-oxopropyl)-16-(3-aminopropyl)-19-(hydroxymethyl)-6-(1-methoxyethyl)-11-methyl-23-(3-methylbutan-2-yl)-13-(2-methylpropyl)-2,5,8,12,15,18,21,25-octaoxo-24-oxa-1,4,7,11,14,17,20-heptazabicyclo[24.4.0]triacontan-3-yl]acetic acid
• 英文别名: 2-[22-[[5-amino-2-[[7-amino-4-[[5-amino-2-[(3-hydroxy-2,4,6-trimethyloctanoyl)amino]pentanoyl]amino]-2,3-dihydroxy-7-oxoheptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]-10-(3-amino-3-oxopropyl)-16-(3-aminopropyl)-19-(hydroxymethyl)-6-(1-methoxyethyl)-11-methyl-23-(3-methylbutan-2-yl)-13-(2-methylpropyl)-2,5,8,12,15,18,21,25-octaoxo-24-oxa-1,4,7,11,14,17,20-heptazabicyclo[24.4.0]triacontan-3-yl]acetic acid
• 化学式: C₇₄H₁₃₀N₁₆O₂₃
• 分子量: 1611.9
• InChiKey: HOLYUQHLLMSNJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 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：
  638
• 氢给体数：
  19
• 氢受体数：
  25