2-[[[20-Benzyl-23-(carboxymethyl)-6-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-5,12,16,19,22,25,28-heptahydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxopropyl)-2-oxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriaconta-4,11,15,18,21,24,27-heptaen-14-yl]-hydroxymethylidene]amino]-3-(4-hydroxyphenyl)propanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[[20-Benzyl-23-(carboxymethyl)-6-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-5,12,16,19,22,25,28-heptahydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxopropyl)-2-oxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriaconta-4,11,15,18,21,24,27-heptaen-14-yl]-hydroxymethylidene]amino]-3-(4-hydroxyphenyl)propanoic acid
• 英文别名: 2-[[[20-benzyl-23-(carboxymethyl)-6-[[2-[[2-[[1,3-dihydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]propylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-5,12,16,19,22,25,28-heptahydroxy-26-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-17-(3-methoxy-3-oxopropyl)-2-oxo-1,4,11,15,18,21,24,27-octazabicyclo[27.3.0]dotriaconta-4,11,15,18,21,24,27-heptaen-14-yl]-hydroxymethylidene]amino]-3-(4-hydroxyphenyl)propanoic acid
• 化学式: C₈₂H₁₀₂N₁₄O₂₆
• 分子量: 1699.8
• InChiKey: SHWUZQNDUBCUPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  122
• 可旋转键数：
  31
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  621
• 氢给体数：
  21
• 氢受体数：
  26