2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[24-[[2-[2-[[6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-54-(2-amino-2-oxoethyl)-36,77-dibenzyl-10,27-bis(3-carbamimidamidopropyl)-57,60-bis(carboxymethyl)-48,74,83-tris(hydroxymethyl)-30,71-bis[(4-hydroxyphenyl)methyl]-86-(1H-imidazol-5-ylmethyl)-7,80-bis(2-methylpropyl)-33-(2-methylsulfanylethyl)-3,6,9,12,18,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,82,85,88,93-hexacosaoxo-51-propan-2-yl-21,22,65,66,90,91-hexathia-2,5,8,11,17,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,81,84,87,94-hexacosazatetracyclo[43.43.4.219,63.013,17]tetranonacontane-68-carbonyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[24-[[2-[2-[[6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-54-(2-amino-2-oxoethyl)-36,77-dibenzyl-10,27-bis(3-carbamimidamidopropyl)-57,60-bis(carboxymethyl)-48,74,83-tris(hydroxymethyl)-30,71-bis[(4-hydroxyphenyl)methyl]-86-(1H-imidazol-5-ylmethyl)-7,80-bis(2-methylpropyl)-33-(2-methylsulfanylethyl)-3,6,9,12,18,25,28,31,34,37,40,43,46,49,52,55,58,61,70,73,76,79,82,85,88,93-hexacosaoxo-51-propan-2-yl-21,22,65,66,90,91-hexathia-2,5,8,11,17,26,29,32,35,38,41,44,47,50,53,56,59,62,69,72,75,78,81,84,87,94-hexacosazatetracyclo[43.43.4.219,63.013,17]tetranonacontane-68-carbonyl]amino]propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]butanedioic acid
• 化学式: C₁₉₂H₂₇₄N₅₂O₆₀S₇
• 分子量: 4495.0
• InChiKey: NSUPRLHDCFNOKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.6
• 重原子数：
  311
• 可旋转键数：
  85
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  1960
• 氢给体数：
  63
• 氢受体数：
  72