H-DL-Ala-DL-Cys(1)-DL-Asp-DL-xiThr-DL-Ala-DL-xiThr-DL-Cys(1)-DL-Val-DL-xiThr-DL-His-DL-Arg-DL-Leu-DL-Ala-Gly-DL-Leu-DL-Leu-DL-Ser-DL-Arg-DL-Ser-Gly-Gly-DL-Val-DL-Val-DL-Lys-DL-Asn-DL-Asn-DL-Phe-DL-Val-DL-Pro-DL-xiThr-DL-Asn-DL-Val-Gly-DL-Ser-DL-Lys-DL-Ala-DL-Phe-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-Cys(1)-DL-Asp-DL-xiThr-DL-Ala-DL-xiThr-DL-Cys(1)-DL-Val-DL-xiThr-DL-His-DL-Arg-DL-Leu-DL-Ala-Gly-DL-Leu-DL-Leu-DL-Ser-DL-Arg-DL-Ser-Gly-Gly-DL-Val-DL-Val-DL-Lys-DL-Asn-DL-Asn-DL-Phe-DL-Val-DL-Pro-DL-xiThr-DL-Asn-DL-Val-Gly-DL-Ser-DL-Lys-DL-Ala-DL-Phe-OH
• 英文别名: 2-[2-[[6-amino-2-[[2-[[2-[[2-[[4-amino-2-[[2-[[1-[2-[[2-[[4-amino-2-[[4-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[19-(2-aminopropanoylamino)-16-(carboxymethyl)-7,13-bis(1-hydroxyethyl)-10-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]propanoylamino]-3-phenylpropanoic acid
• 化学式: C₁₆₃H₂₆₆N₅₀O₅₀S₂
• 分子量: 3790.3
• InChiKey: PBGNJGVTFINXOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -16.3
• 重原子数：
  265
• 可旋转键数：
  112
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  1670
• 氢给体数：
  57
• 氢受体数：
  58