(4R,5S,6S)-3-[[7-[2-[4-(2-amino-2-oxoethyl)-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]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4R,5S,6S)-3-[[7-[2-[4-(2-amino-2-oxoethyl)-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]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 英文别名: (4R,5S,6S)-3-[[7-[2-[4-(2-amino-2-oxoethyl)-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]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 化学式: C33H43N5O7S+2
• 分子量: 653.8
• InChiKey: WGPPZWIROJHKKJ-WZVTXRPLSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  167
• 氢给体数：
  3
• 氢受体数：
  9