2-[(1E,3E,5Z)-5-[1-[6-[[(5S)-5-[[2-[[2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(1R,4S,13S,19S,22S,25S,28S,31R,34S,37R,42R,45S)-42-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-25-benzyl-22-(3-carbamimidamidopropyl)-28-(2-carboxyethyl)-4-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-34-(1H-indol-3-ylmethyl)-2,5,8,14,20,23,26,29,32,35,43,46-dodecaoxo-39,40,49,50-tetrathia-3,6,9,15,21,24,27,30,33,36,44,47-dodecazatetracyclo[29.16.4.09,13.015,19]henpentacontane-37-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3-methyl-1,3-bis(4-sulfobutyl)indol-1-ium-5-sulfonate

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[(1E,3E,5Z)-5-[1-[6-[[(5S)-5-[[2-[[2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(1R,4S,13S,19S,22S,25S,28S,31R,34S,37R,42R,45S)-42-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-25-benzyl-22-(3-carbamimidamidopropyl)-28-(2-carboxyethyl)-4-(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-34-(1H-indol-3-ylmethyl)-2,5,8,14,20,23,26,29,32,35,43,46-dodecaoxo-39,40,49,50-tetrathia-3,6,9,15,21,24,27,30,33,36,44,47-dodecazatetracyclo[29.16.4.09,13.015,19]henpentacontane-37-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-6-amino-6-oxohexyl]amino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3-methyl-1,3-bis(4-sulfobutyl)indol-1-ium-5-sulfonate
• 化学式: C156H212N34O52S8
• 分子量: 3652.0
• InChiKey: UQYUYHHXESUXGH-ABPLELQPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  250
• 可旋转键数：
  79
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  1480
• 氢给体数：
  42
• 氢受体数：
  58