H-Gly-DL-Glu-DL-Gla-DL-Gla-DL-Val-DL-Ala-DL-Lys-DL-Met-DL-Ala-DL-Ala-DL-Gla-DL-Leu-DL-Ala-DL-Arg-DL-Gla-DL-Asn-DL-xiIle-DL-Ala-DL-Lys-Gly-DL-Cys(1)-DL-Lys-DL-Val-DL-Asn-DL-Cys(1)-DL-Tyr-DL-Pro-OH

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: H-Gly-DL-Glu-DL-Gla-DL-Gla-DL-Val-DL-Ala-DL-Lys-DL-Met-DL-Ala-DL-Ala-DL-Gla-DL-Leu-DL-Ala-DL-Arg-DL-Gla-DL-Asn-DL-xiIle-DL-Ala-DL-Lys-Gly-DL-Cys(1)-DL-Lys-DL-Val-DL-Asn-DL-Cys(1)-DL-Tyr-DL-Pro-OH
• 英文别名: 2-[2-[2-[2-[[2-[[6-amino-2-[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-4,4-dicarboxybutanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]propanoylamino]-3-[[1-[[1-[[1-[[1-[[4-amino-1-[[1-[[1-[[6-amino-1-[[2-[[13-(4-aminobutyl)-7-(2-amino-2-oxoethyl)-4-[[1-(2-carboxypyrrolidin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]-6,9,12,15-tetraoxo-10-propan-2-yl-1,2-dithia-5,8,11,14-tetrazacycloheptadec-16-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4,4-dicarboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid
• 化学式: C₁₂₇H₂₀₁N₃₅O₄₉S₃
• 分子量: 3098.4
• InChiKey: MJQQZSPLVNQFRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -18.7
• 重原子数：
  214
• 可旋转键数：
  95
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  1470
• 氢给体数：
  45
• 氢受体数：
  57