4-[[3-Amino-1-[[2-[[1-[[1-[[1-[[2-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-3-[(2-amino-4-methyl-pentanoyl)amino]-4-oxo-butanoic 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: 4-[[3-Amino-1-[[2-[[1-[[1-[[1-[[2-[[2-hydroxy-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]carbamoyl]-3-oxo-propyl]amino]-3-[(2-amino-4-methyl-pentanoyl)amino]-4-oxo-butanoic acid
• 英文别名: 4-[[4-amino-1-[[2-[[1-[[1-[[1-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-3-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoic acid
• 化学式: C₄₆H₇₄N₁₀O₁₄
• 分子量: 991.1
• InChiKey: JAKXQXVWNJAKRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  70
• 可旋转键数：
  31
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  397
• 氢给体数：
  13
• 氢受体数：
  15