2-[4-[2-[3-[[(4S)-6-[(1R)-1-hydroxyethyl]-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]acetate;trifluoromethanesulfonate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[4-[2-[3-[[(4S)-6-[(1R)-1-hydroxyethyl]-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]acetate;trifluoromethanesulfonate
• 英文别名: 2-[4-[2-[3-[[(4S)-6-[(1R)-1-hydroxyethyl]-4-methyl-2-[(4-nitrophenyl)methoxycarbonyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-9-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]acetate;trifluoromethanesulfonate
• 化学式: C39H42F3N5O13S2
• 分子量: 909.9
• InChiKey: RPTHIQYGKIUKCU-ZWTWLSSNSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.12
• 重原子数：
  62
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  264
• 氢给体数：
  1
• 氢受体数：
  17