HCID68123235

4-Nitrobenzyl 7-amino-3-hydroxy-3-cephem-4-carboxylate

(4-nitrophenyl)methyl (6R)-7-amino-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C14H13N3O6S351.34 g/mol

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IDENTITY

结构与身份

标准SMILES: NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12
InChIKey: ZMBSJDXRIAOGBK-JLOHTSLTSA-N
分子式: C14H13N3O6S
平均分子量: 351.34 g/mol
单同位素质量: 351.05250632

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 164 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 4
重原子: 24
形式电荷: 0
复杂度: 596

ALIASES

名称与别名

共 5 条

SCHEMBL10419064ZMBSJDXRIAOGBK-JLOHTSLTSA-N4-nitrobenzyl 7-amino-3-hydroxy-3-cephem-4-carboxylatep-nitrobenzyl 7-amino-3-hydroxy-3-cephem-4-carboxylate7-Amino-3-hydroxy-3-cephem-4-carboxylic acid p-nitrobenzyl ester

REACTIONS