2-[[[16-[[2-[[2-[[[18-[(2-amino-1,3-dihydroxypropylidene)amino]-5,8,11,14,17-pentahydroxy-15-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-1-thia-4,7,10,13,16-pentazacyclononadeca-4,7,10,13,16-pentaen-3-yl]-hydroxymethylidene]amino]-1-hydroxybut-2-enylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-13,34,37-tri(butan-2-yl)-10-(2-carboxyethyl)-3,6,9,12,15,22,25,32,35,38-decahydroxy-24-methyl-7-(sulfanylmethyl)-19,29-dithia-2,5,8,11,14,23,26,33,36,39-decazabicyclo[19.10.8]nonatriaconta-2,5,8,11,14,22,25,32,35,38-decaen-27-yl]-hydroxymethylidene]amino]-5-carbamimidamidopentanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 2-[[[16-[[2-[[2-[[[18-[(2-amino-1,3-dihydroxypropylidene)amino]-5,8,11,14,17-pentahydroxy-15-(hydroxymethyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-1-thia-4,7,10,13,16-pentazacyclononadeca-4,7,10,13,16-pentaen-3-yl]-hydroxymethylidene]amino]-1-hydroxybut-2-enylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-13,34,37-tri(butan-2-yl)-10-(2-carboxyethyl)-3,6,9,12,15,22,25,32,35,38-decahydroxy-24-methyl-7-(sulfanylmethyl)-19,29-dithia-2,5,8,11,14,23,26,33,36,39-decazabicyclo[19.10.8]nonatriaconta-2,5,8,11,14,22,25,32,35,38-decaen-27-yl]-hydroxymethylidene]amino]-5-carbamimidamidopentanoic acid
• 化学式: C₉₂H₁₄₅N₂₅O₂₆S₄
• 分子量: 2145.6
• InChiKey: MTKXZQFBKJNJJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  147
• 可旋转键数：
  34
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  878
• 氢给体数：
  30
• 氢受体数：
  32