(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[4-methyl-8-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-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]-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]-4-methyl-3-[[4-methyl-8-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-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]-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 英文别名: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[4-methyl-8-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-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]-7-oxobicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 化学式: C29H33N4O6S+
• 分子量: 565.7
• InChiKey: GBWPBURYBRTNBM-VJBDUQLXSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  8