(4S,5R,6S)-3-[[10-[2-[4-[2-[4-(2-azaniumylethyl)anilino]-2-oxoethyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]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-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;dichloride

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4S,5R,6S)-3-[[10-[2-[4-[2-[4-(2-azaniumylethyl)anilino]-2-oxoethyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]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-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;dichloride
• 英文别名: (4S,5R,6S)-3-[[10-[2-[4-[2-[4-(2-azaniumylethyl)anilino]-2-oxoethyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]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-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate;dichloride
• 化学式: C39H50Cl2N6O7S
• 分子量: 817.8
• InChiKey: QNHZINHFFLNXJB-IUXIPLAHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.91
• 重原子数：
  55
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  183
• 氢给体数：
  3
• 氢受体数：
  10