HCID10812820

benzhydryl (Z)-(2S,3S,5R)-3-(2-cyanoethenyl)-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

benzhydryl (2S,3S,5R)-3-[(Z)-2-cyanoethenyl]-3-methyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C23H20N2O5S436.5 g/mol

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IDENTITY

结构与身份

标准SMILES: C[C@]1(/C=C\C#N)[C@H](C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C[C@H]2S1(=O)=O
InChIKey: FBMGFBJIQUKPAK-FRBBGPADSA-N
分子式: C23H20N2O5S
平均分子量: 436.5 g/mol
单同位素质量: 436.10929292

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 113 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 31
形式电荷: 0
复杂度: 884

ALIASES

名称与别名

共 3 条

FBMGFBJIQUKPAK-FRBBGPADSA-Nbenzhydryl (Z)-(2S,3S,5R)-3-(2-cyanoethenyl)- 3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylatebenzhydryl (Z)-(2S,3S,5R)-3-(2-cyanoethenyl)-3-methyl-4,4,7-trioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate

REACTIONS

参与反应

2 条

uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05644053

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uspto-grants-1997_06 · 10.6084/m9.figshare.5104873.v1 · US05637579

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