(4S)-5-hydroxy-4-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]-5-[(2S)-1-hydroxy-1-[(2S,3R)-3-hydroxy-1-[(2S)-2-[C-hydroxy-N-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-5-hydroxy-1-[2-[C-hydroxy-N-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-[(2S)-2-[C-hydroxy-N-[(2S)-1-hydroxy-1-imino-4-methylpentan-2-yl]carbonimidoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]iminopropan-2-yl]imino-3-(4-hydroxyphenyl)propan-2-yl]carbonimidoyl]azetidin-1-yl]-5-imino-1-oxopentan-2-yl]imino-3-(4-hydroxyphenyl)propan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]iminoethyl]carbonimidoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]iminopentanoic 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: (4S)-5-hydroxy-4-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)-3-phenylpropylidene]amino]-5-[(2S)-1-hydroxy-1-[(2S,3R)-3-hydroxy-1-[(2S)-2-[C-hydroxy-N-[2-hydroxy-2-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-5-hydroxy-1-[2-[C-hydroxy-N-[(2S)-1-hydroxy-1-[(2S)-1-hydroxy-1-[(2S)-1-[(2S)-2-[C-hydroxy-N-[(2S)-1-hydroxy-1-imino-4-methylpentan-2-yl]carbonimidoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]iminopropan-2-yl]imino-3-(4-hydroxyphenyl)propan-2-yl]carbonimidoyl]azetidin-1-yl]-5-imino-1-oxopentan-2-yl]imino-3-(4-hydroxyphenyl)propan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]iminoethyl]carbonimidoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]imino-3-(1H-indol-3-yl)propan-2-yl]iminopentanoic acid
• 化学式: C₉₆H₁₂₃N₁₉O₂₂
• 分子量: 1895.1
• InChiKey: VASLMBMCJADVGR-BRPRRQPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  137
• 可旋转键数：
  48
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  626
• 氢给体数：
  20
• 氢受体数：
  22