2-[[2-[[5-Amino-2-[[2-[[2-[[2-[2-[[5-amino-2-[[7-(diaminomethylideneamino)-2,3-dihydroxy-4-[2-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]propanoylamino]heptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]but-2-enoylamino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic 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-[[2-[[5-Amino-2-[[2-[[2-[[2-[2-[[5-amino-2-[[7-(diaminomethylideneamino)-2,3-dihydroxy-4-[2-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]propanoylamino]heptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]but-2-enoylamino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic acid
• 英文别名: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[2-[[5-amino-2-[[7-(diaminomethylideneamino)-2,3-dihydroxy-4-[2-[(3-hydroxy-2,4,6-trimethylheptanoyl)amino]propanoylamino]heptanoyl]amino]-3,4-dimethyl-5-oxopentanoyl]amino]but-2-enoylamino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]-methylamino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoic acid
• 化学式: C₆₈H₁₁₆N₁₈O₂₀
• 分子量: 1505.8
• InChiKey: BBJLOYGGTHNYBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  106
• 可旋转键数：
  47
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  636
• 氢给体数：
  20
• 氢受体数：
  22