3-[[9-[2-[4-(2-Amino-2-oxoethyl)-1-bicyclo[2.2.2]octanyl]ethyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;prop-2-enyl 3-[(2,2-dioxo-9-propyl-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl)methyl]-6-(1-methylperoxy-1-oxopropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-[[9-[2-[4-(2-Amino-2-oxoethyl)-1-bicyclo[2.2.2]octanyl]ethyl]-2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;prop-2-enyl 3-[(2,2-dioxo-9-propyl-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl)methyl]-6-(1-methylperoxy-1-oxopropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• 英文别名: 3-[[9-[2-[4-(2-amino-2-oxoethyl)-1-bicyclo[2.2.2]octanyl]ethyl]-2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;prop-2-enyl 3-[(2,2-dioxo-9-propyl-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl)methyl]-6-(1-methylperoxy-1-oxopropan-2-yl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• 化学式: C58H63N5O15S4
• 分子量: 1198.4
• InChiKey: KLPJJIPBPBBDOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.22
• 重原子数：
  82
• 可旋转键数：
  21
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  345
• 氢给体数：
  3
• 氢受体数：
  19