H-DL-Pyr-DL-Phe-DL-xiThr-DL-Asp-DL-Val-DL-Asp-DL-Cys(1)-DL-Ser-DL-Val-DL-Ser-DL-Lys-DL-Glu-DL-Cys(2)-DL-Trp-DL-Ser-DL-Val-DL-Cys(3)-DL-Lys-DL-Asp-DL-Leu-DL-Phe-Gly-DL-Val-DL-Asp-DL-Arg-Gly-DL-Lys-DL-Cys(1)-DL-Met-Gly-DL-Lys-DL-Lys-DL-Cys(2)-DL-Arg-DL-Cys(3)-DL-Tyr-DL-Gln-OH

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: H-DL-Pyr-DL-Phe-DL-xiThr-DL-Asp-DL-Val-DL-Asp-DL-Cys(1)-DL-Ser-DL-Val-DL-Ser-DL-Lys-DL-Glu-DL-Cys(2)-DL-Trp-DL-Ser-DL-Val-DL-Cys(3)-DL-Lys-DL-Asp-DL-Leu-DL-Phe-Gly-DL-Val-DL-Asp-DL-Arg-Gly-DL-Lys-DL-Cys(1)-DL-Met-Gly-DL-Lys-DL-Lys-DL-Cys(2)-DL-Arg-DL-Cys(3)-DL-Tyr-DL-Gln-OH
• 英文别名: 5-amino-2-[[3-(4-hydroxyphenyl)-2-[[15,42,62,75,78-pentakis(4-aminobutyl)-24-benzyl-4,36-bis(3-carbamimidamidopropyl)-50-[[3-carboxy-2-[[2-[[3-carboxy-2-[[3-hydroxy-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoyl]amino]butanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-65-(2-carboxyethyl)-18,33-bis(carboxymethyl)-53,59,92-tris(hydroxymethyl)-89-(1H-indol-3-ylmethyl)-21-(2-methylpropyl)-84-(2-methylsulfanylethyl)-2,5,13,16,19,22,25,28,31,34,37,40,43,51,54,57,60,63,66,74,77,80,83,86,87,90,93,96-octacosaoxo-30,56,95-tri(propan-2-yl)-9,10,47,48,70,71-hexathia-3,6,14,17,20,23,26,29,32,35,38,41,44,52,55,58,61,64,67,73,76,79,82,85,88,91,94,97-octacosazatricyclo[43.27.14.1112,68]heptanonacontane-7-carbonyl]amino]propanoyl]amino]-5-oxopentanoic acid
• 化学式: C₁₇₉H₂₇₄N₅₀O₅₅S₇
• 分子量: 4231.0
• InChiKey: QWGRLMXXDYLRBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -21.5
• 重原子数：
  291
• 可旋转键数：
  82
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  1890
• 氢给体数：
  61
• 氢受体数：
  69