[3-[2-[[2-[2-[[2-[[2-[(2-Acetamido-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-amino-4-oxobutanoyl]amino]propanoylamino]-4-[[1-[5-[[2-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,3-dihydropyrrol-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl] dihydrogen phosphate

• 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: [3-[2-[[2-[2-[[2-[[2-[(2-Acetamido-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-amino-4-oxobutanoyl]amino]propanoylamino]-4-[[1-[5-[[2-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,3-dihydropyrrol-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
• 英文别名: [3-[2-[[2-[2-[[2-[[2-[(2-acetamido-4-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-4-amino-4-oxobutanoyl]amino]propanoylamino]-4-[[1-[5-[[2-[[1-[(1-amino-1-oxopropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]-2,3-dihydropyrrol-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutan-2-yl] dihydrogen phosphate
• 化学式: C₅₉H₈₈N₁₇O₂₁P
• 分子量: 1402.4
• InChiKey: QLKIFKXYHIFLGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.6
• 重原子数：
  98
• 可旋转键数：
  39
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  618
• 氢给体数：
  20
• 氢受体数：
  22