H-Gly-DL-Glu-DL-xiThr-DL-Cys(1)-DL-Val-Gly-Gly-DL-xiThr-DL-Cys(2)-DL-Asn-DL-xiThr-DL-Pro-Gly-DL-Cys(3)-DL-Ser-DL-Cys(1)-DL-Ser-DL-Trp-DL-Pro-DL-Val-DL-Cys(2)-DL-xiThr-DL-Arg-DL-Asn-Gly-DL-Leu-DL-Pro-DL-Val-DL-Cys(3)-OH

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: H-Gly-DL-Glu-DL-xiThr-DL-Cys(1)-DL-Val-Gly-Gly-DL-xiThr-DL-Cys(2)-DL-Asn-DL-xiThr-DL-Pro-Gly-DL-Cys(3)-DL-Ser-DL-Cys(1)-DL-Ser-DL-Trp-DL-Pro-DL-Val-DL-Cys(2)-DL-xiThr-DL-Arg-DL-Asn-Gly-DL-Leu-DL-Pro-DL-Val-DL-Cys(3)-OH
• 英文别名: 84-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-28,66-bis(2-amino-2-oxoethyl)-25-(3-carbamimidamidopropyl)-22,63,72-tris(1-hydroxyethyl)-4,91-bis(hydroxymethyl)-7-(1H-indol-3-ylmethyl)-34-(2-methylpropyl)-2,5,8,14,17,20,23,26,29,32,35,41,44,53,56,62,65,68,71,74,77,80,83,90,93-pentacosaoxo-16,43,81-tri(propan-2-yl)-48,49,86,87,95,96-hexathia-3,6,9,15,18,21,24,27,30,33,36,42,45,52,55,61,64,67,70,73,76,79,82,89,92-pentacosazahexacyclo[49.37.5.419,69.09,13.036,40.057,61]heptanonacontane-46-carboxylic acid
• 化学式: C₁₁₆H₁₇₉N₃₅O₄₀S₆
• 分子量: 2896.3
• InChiKey: BGGCSIYMQIZMAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.7
• 重原子数：
  197
• 可旋转键数：
  32
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  1330
• 氢给体数：
  40
• 氢受体数：
  48