HCID54062639

p-Nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-methanesulfonyloxyethylidene)acetate

(4-nitrophenyl)methyl 3-methylsulfonyloxy-2-[7-oxo-3-(phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-2-enoate

C23H21N3O9S2547.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(OS(C)(=O)=O)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21
InChIKey: MAUUDIXBVHWKMW-UHFFFAOYSA-N
分子式: C23H21N3O9S2
平均分子量: 547.6 g/mol
单同位素质量: 547.0719216

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 191 Å²
氢键供体: 0
氢键受体: 11
可旋转键: 10
重原子: 37
形式电荷: 0
复杂度: 1,070

ALIASES

名称与别名

共 6 条

SCHEMBL11055083MAUUDIXBVHWKMW-UHFFFAOYSA-Np-nitrobenzyl alpha-[3-phenoxymethyl- 7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-methanesulfonyloxyethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia 2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-methanesulfonyloxyethylidene)acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-methanesulfonyloxyethylidene)-acetatep-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-methanesulfonyloxyethylidene)acetate

REACTIONS