HCID86735546

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

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

C29H25N3O9S2623.7 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(OS(=O)(=O)c1ccc(C)cc1)=C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C2N=C(COc3ccccc3)SC21
InChIKey: UUAJLVKXFCJHSZ-UHFFFAOYSA-N
分子式: C29H25N3O9S2
平均分子量: 623.7 g/mol
单同位素质量: 623.10322173

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 191 Å²
氢键供体: 0
氢键受体: 11
可旋转键: 11
重原子: 43
形式电荷: 0
复杂度: 1,220

ALIASES

名称与别名

共 2 条

UUAJLVKXFCJHSZ-UHFFFAOYSA-Np-nitrobenzyl alpha-[3-phenoxymethyl-7-oxo-4-thia-2,6-diazabicyclo[3,2,0]hept-2-en-6-yl]-alpha-(1-toluene-p-sulfonyloxyethylidene)acetate

REACTIONS