(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1,3-dihydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)propylidene]amino]propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxypentylidene]amino]-N-[(2S)-5-carbamimidamido-1-hydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminopentan-2-yl]pentanediimidic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: (2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1,3-dihydroxy-2-[[(2S)-1-hydroxy-2-(1-hydroxyethylideneamino)propylidene]amino]propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxypentylidene]amino]-N-[(2S)-5-carbamimidamido-1-hydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminopentan-2-yl]pentanediimidic acid
• 化学式: C₈₆H₁₃₉N₂₉O₂₂
• 分子量: 1931.2
• InChiKey: NDQIPMDOGHILHE-UXUJTPOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  137
• 可旋转键数：
  65
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  861
• 氢给体数：
  32
• 氢受体数：
  26