HCID20325849

3-[(Acetyloxy)methyl]-7-[[2-[4-(chloromethyl)phenyl]-2-aminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

3-(acetyloxymethyl)-7-[[2-amino-2-[4-(chloromethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C19H20ClN3O6S453.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccc(CCl)cc3)C2SC1
InChIKey: UJYMIAQQCKJYNT-UHFFFAOYSA-N
分子式: C19H20ClN3O6S
平均分子量: 453.9 g/mol
单同位素质量: 453.0761342

COMPUTED

结构计算性质

已同步

XLogP: -2.6
极性表面积: 164 Å²
氢键供体: 3
氢键受体: 8
可旋转键: 8
重原子: 30
形式电荷: 0
复杂度: 767

ALIASES

名称与别名

共 4 条

SCHEMBL11623590UJYMIAQQCKJYNT-UHFFFAOYSA-N3-[(acetyloxy)methyl]-7-[[2-[4-(chloromethyl)phenyl]-2-aminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid3-[(acetyloxy)methyl]-7-[[2-[4-(chloromethyl)phenyl]-2-aminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2carboxylic acid

REACTIONS