4-amino-5-[1-[1-[[42,63-bis(4-aminobutyl)-16,81-di(butan-2-yl)-34-[N-[1-[2-[N-[5-carbamimidamido-1-[1-[1-[1-[4-carboxy-1-[2-[1-[1-[1-(1-carboxyethylimino)-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-C-hydroxycarbonimidoyl]-4,92,98-tris(3-carbamimidamidopropyl)-31,75-bis(2-carboxyethyl)-72-(carboxymethyl)-2,5,5a,8,11,12a,14,17,20,23,26,29,32,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,90,93,96-hentriacontahydroxy-22,45,57-tris(1-hydroxyethyl)-25-(2-hydroxy-2-iminoethyl)-10-(hydroxymethyl)-69-[(4-hydroxyphenyl)methyl]-54-(1H-indol-3-ylmethyl)-78-methyl-13-(2-methylsulfanylethyl)-99-oxo-8a,9a,14a,15a,36,37,86,87-octathia-a,3,6,6a,9,11a,12,15,18,21,24,27,30,33,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,91,94,97-dotriacontazapentacyclo[58.46.4.47,28.239,89.0100,104]hexadecahecta-2,5,5a(6a),8,11,11a(12a),14,17,20,23,26,29,32,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,90,93,96-hentriacontaen-84-yl]imino]-1,4-dihydroxy-4-iminobutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-5-hydroxypentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 4-amino-5-[1-[1-[[42,63-bis(4-aminobutyl)-16,81-di(butan-2-yl)-34-[N-[1-[2-[N-[5-carbamimidamido-1-[1-[1-[1-[4-carboxy-1-[2-[1-[1-[1-(1-carboxyethylimino)-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-2-hydroxyethyl]imino-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxypentan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]-C-hydroxycarbonimidoyl]-4,92,98-tris(3-carbamimidamidopropyl)-31,75-bis(2-carboxyethyl)-72-(carboxymethyl)-2,5,5a,8,11,12a,14,17,20,23,26,29,32,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,90,93,96-hentriacontahydroxy-22,45,57-tris(1-hydroxyethyl)-25-(2-hydroxy-2-iminoethyl)-10-(hydroxymethyl)-69-[(4-hydroxyphenyl)methyl]-54-(1H-indol-3-ylmethyl)-78-methyl-13-(2-methylsulfanylethyl)-99-oxo-8a,9a,14a,15a,36,37,86,87-octathia-a,3,6,6a,9,11a,12,15,18,21,24,27,30,33,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,91,94,97-dotriacontazapentacyclo[58.46.4.47,28.239,89.0100,104]hexadecahecta-2,5,5a(6a),8,11,11a(12a),14,17,20,23,26,29,32,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,90,93,96-hentriacontaen-84-yl]imino]-1,4-dihydroxy-4-iminobutan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-5-hydroxypentanoic acid
• 化学式: C₂₁₅H₃₃₇N₆₅O₇₀S₁₀
• 分子量: 5273.0
• InChiKey: MBXCGHHUBOKUGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -22.9
• 重原子数：
  360
• 可旋转键数：
  106
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  2430
• 氢给体数：
  77
• 氢受体数：
  87