cyclo[DL-Ala-DL-xiIle-DL-Ser-DL-Cys(1)-Gly-DL-Glu-DL-xiThr-DL-Cys(2)-DL-Phe-DL-Lys-DL-Phe-DL-Lys-DL-Cys(3)-DL-Tyr-DL-xiThr-DL-Pro-DL-Arg-DL-Cys(1)-DL-Ser-DL-Cys(2)-DL-Ser-DL-Tyr-DL-Pro-DL-Val-DL-Cys(3)-DL-Lys-DL-Ser]

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: cyclo[DL-Ala-DL-xiIle-DL-Ser-DL-Cys(1)-Gly-DL-Glu-DL-xiThr-DL-Cys(2)-DL-Phe-DL-Lys-DL-Phe-DL-Lys-DL-Cys(3)-DL-Tyr-DL-xiThr-DL-Pro-DL-Arg-DL-Cys(1)-DL-Ser-DL-Cys(2)-DL-Ser-DL-Tyr-DL-Pro-DL-Val-DL-Cys(3)-DL-Lys-DL-Ser]
• 英文别名: 3-[22,28,61-tris(4-aminobutyl)-25,31-dibenzyl-52-butan-2-yl-4-(3-carbamimidamidopropyl)-13,37-bis(1-hydroxyethyl)-49,58,79,85-tetrakis(hydroxymethyl)-16,76-bis[(4-hydroxyphenyl)methyl]-55-methyl-3,6,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,75,78,81,84,87-heptacosaoxo-67-propan-2-yl-89,90,93,94,97,98-hexathia-2,5,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,74,77,80,83,86-heptacosazahexacyclo[44.41.4.419,64.434,82.07,11.070,74]nonanonacontan-40-yl]propanoic acid
• 化学式: C₁₂₉H₁₉₁N₃₃O₃₇S₆
• 分子量: 2988.5
• InChiKey: DIHQXZONSJVFJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6
• 重原子数：
  205
• 可旋转键数：
  37
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  1260
• 氢给体数：
  40
• 氢受体数：
  47