2-[[[11,17-dibenzyl-45-butan-2-yl-53-(2-carboxyethyl)-42-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-8-ethylidene-7,10,13,16,19,22,25,28,31,34,37,43,46,48,51,54,61-heptadecahydroxy-29,35-bis(2-hydroxy-2-iminoethyl)-20-(3-hydroxy-3-iminopropyl)-50-(1H-imidazol-5-ylmethyl)-23-(1H-indol-3-ylmethyl)-41-methyl-32-(2-methylsulfanylethyl)-14-propan-2-yl-3,40,57-trithia-6,9,12,15,18,21,24,27,30,33,36,44,47,49,52,55,60-heptadecazatricyclo[36.9.8.65,26]henhexaconta-6,9,12,15,18,21,24,27,30,33,36,43,46,48,51,54,60-heptadecaen-59-yl]-hydroxymethylidene]amino]-3-hydroxypropanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[[11,17-dibenzyl-45-butan-2-yl-53-(2-carboxyethyl)-42-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2,6-diamino-1-hydroxyhexylidene)amino]-1-hydroxyethylidene]amino]-1-hydroxyethylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-8-ethylidene-7,10,13,16,19,22,25,28,31,34,37,43,46,48,51,54,61-heptadecahydroxy-29,35-bis(2-hydroxy-2-iminoethyl)-20-(3-hydroxy-3-iminopropyl)-50-(1H-imidazol-5-ylmethyl)-23-(1H-indol-3-ylmethyl)-41-methyl-32-(2-methylsulfanylethyl)-14-propan-2-yl-3,40,57-trithia-6,9,12,15,18,21,24,27,30,33,36,44,47,49,52,55,60-heptadecazatricyclo[36.9.8.65,26]henhexaconta-6,9,12,15,18,21,24,27,30,33,36,43,46,48,51,54,60-heptadecaen-59-yl]-hydroxymethylidene]amino]-3-hydroxypropanoic acid
• 化学式: C₁₂₇H₁₈₂N₃₆O₃₅S₄
• 分子量: 2901.3
• InChiKey: VIEVUPYQRUJFFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.5
• 重原子数：
  202
• 可旋转键数：
  54
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  1230
• 氢给体数：
  38
• 氢受体数：
  43