N-[1-[1-[1-[1-[2-[1,3-dihydroxy-1-[1-hydroxy-1-[1-hydroxy-3-methyl-1-[[5,8,11-trihydroxy-9-(2-methylpropyl)-6-propan-2-yl-1-thia-4,7,10-triazacyclotrideca-2,4,7,10-tetraen-12-yl]imino]pentan-2-yl]iminobut-2-en-2-yl]iminopropan-2-yl]imino-2-hydroxyethyl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-2-[[2-[[2-[[2-[[[1-[2-[[2-[[[1-[2-[[2-(dimethylamino)-1-hydroxypropylidene]amino]but-2-enoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]but-2-enoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxybut-2-enylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxypropylidene]amino]pentanediimidic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: N-[1-[1-[1-[1-[2-[1,3-dihydroxy-1-[1-hydroxy-1-[1-hydroxy-3-methyl-1-[[5,8,11-trihydroxy-9-(2-methylpropyl)-6-propan-2-yl-1-thia-4,7,10-triazacyclotrideca-2,4,7,10-tetraen-12-yl]imino]pentan-2-yl]iminobut-2-en-2-yl]iminopropan-2-yl]imino-2-hydroxyethyl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]-2-[[2-[[2-[[2-[[[1-[2-[[2-[[[1-[2-[[2-(dimethylamino)-1-hydroxypropylidene]amino]but-2-enoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxypropylidene]amino]but-2-enoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-1-hydroxybut-2-enylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxypropylidene]amino]pentanediimidic acid
• 化学式: C₉₉H₁₅₄N₂₄O₂₄S
• 分子量: 2096.5
• InChiKey: TYVRUMCYJWCOOO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  148
• 可旋转键数：
  53
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  729
• 氢给体数：
  22
• 氢受体数：
  26