(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[9-[[4-(3-hydroxyprop-1-ynyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]methyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-4-methyl-7-oxo-1-azabicyclo[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: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[9-[[4-(3-hydroxyprop-1-ynyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]methyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 英文别名: (4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[[9-[[4-(3-hydroxyprop-1-ynyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]methyl]-2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 化学式: C31H36N4O7S+2
• 分子量: 608.7
• InChiKey: ZRGICNOZWGVEEK-RQLBATMLSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  144
• 氢给体数：
  3
• 氢受体数：
  8