H-DL-Ala-DL-Ala-DL-Pro-DL-Cys(1)-DL-Phe-DL-Cys(2)-DL-Ser-Gly-DL-Lys-DL-Pro-Gly-DL-Arg-Gly-DL-Asp-DL-Leu-DL-Trp-DL-xiIle-DL-Leu-DL-Arg-Gly-DL-xiThr-DL-Cys(3)-DL-Pro-Gly-Gly-DL-Tyr-Gly-DL-Tyr-DL-xiThr-DL-Ser-DL-Asn-DL-Cys(2)-DL-Tyr-DL-Lys-DL-Trp-DL-Pro-DL-Asn-DL-xiIle-DL-Cys(1)-DL-Cys(3)-DL-Tyr-DL-Pro-DL-His-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-Ala-DL-Ala-DL-Pro-DL-Cys(1)-DL-Phe-DL-Cys(2)-DL-Ser-Gly-DL-Lys-DL-Pro-Gly-DL-Arg-Gly-DL-Asp-DL-Leu-DL-Trp-DL-xiIle-DL-Leu-DL-Arg-Gly-DL-xiThr-DL-Cys(3)-DL-Pro-Gly-Gly-DL-Tyr-Gly-DL-Tyr-DL-xiThr-DL-Ser-DL-Asn-DL-Cys(2)-DL-Tyr-DL-Lys-DL-Trp-DL-Pro-DL-Asn-DL-xiIle-DL-Cys(1)-DL-Cys(3)-DL-Tyr-DL-Pro-DL-His-OH
• 英文别名: 2-[[1-[2-[[2a,21-bis(4-aminobutyl)-14a,93-bis(2-amino-2-oxoethyl)-6-[[1-[2-(2-aminopropanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-9-benzyl-17a,48-di(butan-2-yl)-33,54-bis(3-carbamimidamidopropyl)-39-(carboxymethyl)-60,87-bis(1-hydroxyethyl)-15,90-bis(hydroxymethyl)-78,84,99-tris[(4-hydroxyphenyl)methyl]-5a,45-bis(1H-indol-3-ylmethyl)-42,51-bis(2-methylpropyl)-a,3a,6a,7,10,12a,13,15a,16,18a,19,20a,22,28,31,34,37,40,43,46,49,52,55,58,61,64,70,73,76,79,82,85,88,91,94,97-hexatriacontaoxo-3,4,24a,25a,28a,29a-hexathia-1a,4a,7a,8,11,13a,14,16a,17,19a,20,21a,23,29,32,35,38,41,44,47,50,53,56,59,62,65,71,74,77,80,83,86,89,92,95,98-hexatriacontazahexacyclo[61.56.7.412,96.023,27.065,69.0107,111]triacontahectane-22a-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-4-yl)propanoic acid
• 化学式: C₂₁₀H₂₉₇N₅₇O₅₆S₆
• 分子量: 4708.0
• InChiKey: NHDQBZJQNKDJOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.2
• 重原子数：
  329
• 可旋转键数：
  63
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  1910
• 氢给体数：
  61
• 氢受体数：
  68