(4S)-5-[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-6-amino-1-[(2S)-2-[C-hydroxy-N-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]carbonimidoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1,3-dihydroxy-2-(1-hydroxyhex-5-ynylideneamino)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-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)-5-[(2S)-1-[(2R)-1-[(2S)-1-[(2S)-1-[2-[(2S)-6-amino-1-[(2S)-2-[C-hydroxy-N-[(2S)-1-hydroxy-1-imino-3-methylbutan-2-yl]carbonimidoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1,3-dihydroxy-2-(1-hydroxyhex-5-ynylideneamino)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-5-hydroxypentanoic acid
• 化学式: C₈₂H₁₁₅N₂₁O₁₉
• 分子量: 1698.9
• InChiKey: ULLDETOPZDQJRZ-YRGXULDVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  122
• 可旋转键数：
  53
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  646
• 氢给体数：
  22
• 氢受体数：
  22