(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[7-[2-[4-(3-hydroxypropyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-4-methyl-3,3-dioxo-3lambda6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-yl]methyl]-4-methyl-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[7-[2-[4-(3-hydroxypropyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-4-methyl-3,3-dioxo-3lambda6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-yl]methyl]-4-methyl-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 英文别名: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[[7-[2-[4-(3-hydroxypropyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-4-methyl-3,3-dioxo-3λ6-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-yl]methyl]-4-methyl-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 化学式: C34H46N4O7S+2
• 分子量: 654.8
• InChiKey: AGYAJWBJHVJJIM-FALMXXCRSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  9