Echistatin H-Glu-Cys-Glu-Ser-Gly-Pro-Cys-Cys-Arg-Asn-Cys-Lys-Phe-Leu-Lys-Glu-Gly-Thr-Ile-Cys-Lys-Arg-Ala-Arg-Gly-Asp-Asp-Met-Asp-Asp-Tyr-Cys-Asn-Gly-Lys-Thr-Cys-Asp-Cys-Pro-Arg-Asn-Pro-His-Lys-Gly-Pro-Ala-Thr-OH (Disulfide bonds between Cys2 and Cys11/Cys7 and Cys32/Cys8 and Cys37/Cys20 and Cys39)

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: Echistatin H-Glu-Cys-Glu-Ser-Gly-Pro-Cys-Cys-Arg-Asn-Cys-Lys-Phe-Leu-Lys-Glu-Gly-Thr-Ile-Cys-Lys-Arg-Ala-Arg-Gly-Asp-Asp-Met-Asp-Asp-Tyr-Cys-Asn-Gly-Lys-Thr-Cys-Asp-Cys-Pro-Arg-Asn-Pro-His-Lys-Gly-Pro-Ala-Thr-OH (Disulfide bonds between Cys2 and Cys11/Cys7 and Cys32/Cys8 and Cys37/Cys20 and Cys39)
• 英文别名: 5-[[15a-[2-[[1-[[4-amino-1-[2-[[1-[[6-amino-1-[[2-[2-[[1-[(1-carboxy-2-hydroxypropyl)amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-4a,35,44,62-tetrakis(4-aminobutyl)-26a,98-bis(2-amino-2-oxoethyl)-38-benzyl-56-butan-2-yl-29a,65,71-tris(3-carbamimidamidopropyl)-24,47-bis(2-carboxyethyl)-12a,77,80,86,89-pentakis(carboxymethyl)-7a,53-bis(1-hydroxyethyl)-21-(hydroxymethyl)-92-[(4-hydroxyphenyl)methyl]-68-methyl-41-(2-methylpropyl)-83-(2-methylsulfanylethyl)-2a,5a,8,8a,10a,11,13a,17,20,23,25a,26,28a,31a,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-heptatriacontaoxo-3,4,17a,18a,21a,22a,29,30-octathia-a,3a,6a,7,9a,10,11a,14a,16,19,22,24a,25,27a,30a,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94,97-heptatriacontazapentacyclo[57.50.10.86,32.49,95.012,16]hentriacontahectan-27-yl]amino]-4-amino-5-oxopentanoic acid
• 化学式: C₂₁₇H₃₄₁N₇₁O₇₄S₉
• 分子量: 5417.0
• InChiKey: KZMZKUVIDVBQGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -38.7
• 重原子数：
  371
• 可旋转键数：
  102
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  2590
• 氢给体数：
  80
• 氢受体数：
  94