(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-5-[(2S,3S)-1-[(2S)-1-[5-carbamimidamido-1-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-carboxy-1-hydroxypropylidene]amino]-5-[(2S,3S)-1-[(2S)-1-[5-carbamimidamido-1-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[(1S)-1-carboxy-3-hydroxy-3-iminopropyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxypentan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-5-hydroxypentanoic acid
• 化学式: C₆₇H₉₂N₁₈O₂₃
• 分子量: 1517.6
• InChiKey: WJRVDOCLWHOQOK-PMVLMXRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.9
• 重原子数：
  108
• 可旋转键数：
  50
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  693
• 氢给体数：
  23
• 氢受体数：
  25