H-DL-Gln-DL-Phe-DL-xiThr-DL-Asn-DL-Val-DL-Ser-DL-Cys(1)-DL-xiThr-DL-xiThr-DL-Ser-DL-Lys-DL-Glu-DL-Cys(2)-DL-Trp-DL-Ser-DL-Val-DL-Cys(3)-DL-Gln-DL-Arg-DL-Leu-DL-His-DL-Asp-DL-xiThr-DL-Ser-DL-Arg-Gly-DL-Lys-DL-Cys(1)-DL-Met-DL-Asn-DL-Lys-DL-Lys-DL-Cys(2)-DL-Arg-DL-Cys(3)-DL-Tyr-DL-Ser-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-Gln-DL-Phe-DL-xiThr-DL-Asn-DL-Val-DL-Ser-DL-Cys(1)-DL-xiThr-DL-xiThr-DL-Ser-DL-Lys-DL-Glu-DL-Cys(2)-DL-Trp-DL-Ser-DL-Val-DL-Cys(3)-DL-Gln-DL-Arg-DL-Leu-DL-His-DL-Asp-DL-xiThr-DL-Ser-DL-Arg-Gly-DL-Lys-DL-Cys(1)-DL-Met-DL-Asn-DL-Lys-DL-Lys-DL-Cys(2)-DL-Arg-DL-Cys(3)-DL-Tyr-DL-Ser-OH
• 英文别名: 3-hydroxy-2-[[3-(4-hydroxyphenyl)-2-[[42,62,75,78-tetrakis(4-aminobutyl)-50-[[2-[[2-[[4-amino-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-81-(2-amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-4,18,36-tris(3-carbamimidamidopropyl)-65-(2-carboxyethyl)-27-(carboxymethyl)-30,53,56-tris(1-hydroxyethyl)-33,59,92-tris(hydroxymethyl)-24-(1H-imidazol-5-ylmethyl)-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-95-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]propanoic acid
• 化学式: C₁₇₆H₂₇₉N₅₇O₅₆S₇
• 分子量: 4314.0
• InChiKey: IQCDGKCDCXLTAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -23.7
• 重原子数：
  296
• 可旋转键数：
  87
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  2070
• 氢给体数：
  69
• 氢受体数：
  72