cyclo[DL-Ala-Gly-Gly-DL-xiThr-DL-Cys(1)-DL-Asn-DL-xiThr-DL-Pro-Gly-DL-Cys(2)-DL-Ser-DL-Cys(3)-DL-Ser-DL-Trp-DL-Pro-DL-xiIle-DL-Cys(1)-DL-xiThr-DL-Arg-DL-Asn-Gly-DL-Leu-DL-Pro-DL-Val-DL-Cys(2)-Gly-DL-Glu-DL-xiThr-DL-Cys(3)]

• 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-Gly-Gly-DL-xiThr-DL-Cys(1)-DL-Asn-DL-xiThr-DL-Pro-Gly-DL-Cys(2)-DL-Ser-DL-Cys(3)-DL-Ser-DL-Trp-DL-Pro-DL-xiIle-DL-Cys(1)-DL-xiThr-DL-Arg-DL-Asn-Gly-DL-Leu-DL-Pro-DL-Val-DL-Cys(2)-Gly-DL-Glu-DL-xiThr-DL-Cys(3)]
• 英文别名: 3-[19,67-bis(2-amino-2-oxoethyl)-31-butan-2-yl-22-(3-carbamimidamidopropyl)-25,64,73,88-tetrakis(1-hydroxyethyl)-43,49-bis(hydroxymethyl)-40-(1H-indol-3-ylmethyl)-82-methyl-13-(2-methylpropyl)-3,6,12,15,18,21,24,27,30,33,39,42,45,48,51,54,57,63,66,69,72,75,78,81,84,87,90,93,96-nonacosaoxo-4-propan-2-yl-2a,3a,6a,7a,98,99-hexathia-2,5,11,14,17,20,23,26,29,32,38,41,44,47,50,53,56,62,65,68,71,74,77,80,83,86,89,92,95-nonacosazaheptacyclo[50.44.4.428,70.446,85.07,11.034,38.058,62]octahectan-91-yl]propanoic acid
• 化学式: C₁₁₅H₁₇₅N₃₅O₃₉S₆
• 分子量: 2864.2
• InChiKey: JRQOVZFYMIMYDG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.6
• 重原子数：
  195
• 可旋转键数：
  25
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  1290
• 氢给体数：
  39
• 氢受体数：
  46