(2S,3R,6Z)-3-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,3R,6Z)-3-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• 英文别名: (2S,3R,6Z)-3-[[2-(3,4-dihydroxyphenyl)acetyl]oxymethyl]-3-methyl-4,4,7-trioxo-6-(pyridin-2-ylmethylidene)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• 化学式: C45H47N7O16S2
• 分子量: 1006.0
• InChiKey: WBIRAWBQHOZVNR-GOLXPEMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.23
• 重原子数：
  70
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  362
• 氢给体数：
  6
• 氢受体数：
  18