(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(1R,4S,7S,10S,13S,16R,21R,24S,31R)-7-(4-aminobutyl)-13-(3-carbamimidamidopropyl)-31-[[(2S)-3-carboxy-1-hydroxy-2-[[hydroxy-[(2S)-1-[(2S)-2-[[hydroxy-[(2S)-1-[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carbonyl]pyrrolidin-2-yl]methylidene]amino]-4-methylpentanoyl]pyrrolidin-2-yl]methylidene]amino]propylidene]amino]-3,6,9,12,15,23,26,32-octahydroxy-4-[(1R)-1-hydroxyethyl]-10-(3-hydroxy-3-iminopropyl)-24-(hydroxymethyl)-18,19,28,29-tetrathia-2,5,8,11,14,22,25,33-octazabicyclo[14.10.7]tritriaconta-2,5,8,11,14,22,25,32-octaen-21-yl]-hydroxymethylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-5-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S,3S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-1-imino-4-methylpentan-2-yl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-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-[[[(1R,4S,7S,10S,13S,16R,21R,24S,31R)-7-(4-aminobutyl)-13-(3-carbamimidamidopropyl)-31-[[(2S)-3-carboxy-1-hydroxy-2-[[hydroxy-[(2S)-1-[(2S)-2-[[hydroxy-[(2S)-1-[(2S)-5-hydroxy-3,4-dihydro-2H-pyrrole-2-carbonyl]pyrrolidin-2-yl]methylidene]amino]-4-methylpentanoyl]pyrrolidin-2-yl]methylidene]amino]propylidene]amino]-3,6,9,12,15,23,26,32-octahydroxy-4-[(1R)-1-hydroxyethyl]-10-(3-hydroxy-3-iminopropyl)-24-(hydroxymethyl)-18,19,28,29-tetrathia-2,5,8,11,14,22,25,33-octazabicyclo[14.10.7]tritriaconta-2,5,8,11,14,22,25,32-octaen-21-yl]-hydroxymethylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-5-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[2-[(2S,3S)-1-[(2S)-1-[(2S,3R)-1,3-dihydroxy-1-[(2S)-1-hydroxy-1-imino-4-methylpentan-2-yl]iminobutan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxypropan-2-yl]imino-1-hydroxypropan-2-yl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxypropan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-5-hydroxypentanoic acid
• 化学式: C₁₅₂H₂₄₃N₄₇O₄₄S₄
• 分子量: 3561.1
• InChiKey: OFNHNCAUVYOTPM-IIIOAANCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.1
• 重原子数：
  247
• 可旋转键数：
  94
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  1540
• 氢给体数：
  49
• 氢受体数：
  53