Aibellin | 151036-29-2

• 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: Aibellin
• 英文别名: (4S)-5-[1-[(2S)-1-[1-[2-[1-[1-[(2S)-2-[N-[(2S)-1-[1-[1-[(2S)-4-carboxy-1-[(2S)-4-carboxy-1-hydroxy-1-[(2S)-1-(2-hydroxyethylamino)-3-phenylpropan-2-yl]iminobutan-2-yl]imino-1-hydroxybutan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-2-methylpropan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-2-methylpropan-2-yl]imino-5-hydroxy-4-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-[[(2S)-1-hydroxy-2-[[1-hydroxy-2-(1-hydroxyethylideneamino)-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]-2-methylpropylidene]amino]propylidene]amino]pentanoic acid
• CAS: 151036-29-2
• 化学式: C₉₄H₁₄₇N₂₁O₂₇
• 分子量: 2003.3
• InChiKey: LPLUASOETQZGDI-OHGRIBQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  142
• 可旋转键数：
  56
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  784
• 氢给体数：
  24
• 氢受体数：
  47