4-[[1-[[1-[6-[[1-[[5-Amino-1-[[5-amino-1-[[1-(carboxymethylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-hydroxyethyl]carbamoyl]-8,9-dihydroxy-1,2,3,4,10a,11-hexahydropyrimido[1,2-a]quinolin-11-ium-5-yl]amino]-4-oxobutanoic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 4-[[1-[[1-[6-[[1-[[5-Amino-1-[[5-amino-1-[[1-(carboxymethylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-hydroxyethyl]carbamoyl]-8,9-dihydroxy-1,2,3,4,10a,11-hexahydropyrimido[1,2-a]quinolin-11-ium-5-yl]amino]-4-oxobutanoic acid
• 英文别名: 4-[[1-[[1-[6-[[1-[[5-amino-1-[[5-amino-1-[[1-(carboxymethylamino)-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-[formyl(hydroxy)amino]-1-oxopentan-2-yl]carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl]-2-hydroxyethyl]carbamoyl]-8,9-dihydroxy-1,2,3,4,10a,11-hexahydropyrimido[1,2-a]quinolin-11-ium-5-yl]amino]-4-oxobutanoic acid
• 化学式: C48H70N15O20+
• 分子量: 1177.2
• InChiKey: SMOVCXKEQMCIRO-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -10.2
• 重原子数：
  83
• 可旋转键数：
  33
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  547
• 氢给体数：
  19
• 氢受体数：
  22