HCID131711480

3-[(Acetyloxy)methyl]-7-[[2-carboethoxy-2-(1-pyrryl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid sodium salt

sodium 3-(acetyloxymethyl)-7-[(3-ethoxy-3-oxo-2-pyrrol-1-ylpropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C19H20N3NaO8S473.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C(C(=O)NC1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CSC12)n1cccc1.[Na+]
InChIKey: MUJFDFXICXFNEE-UHFFFAOYSA-M
分子式: C19H20N3NaO8S
平均分子量: 473.4 g/mol
单同位素质量: 473.08688006

COMPUTED

结构计算性质

已同步

极性表面积: 172 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 10
重原子: 32
形式电荷: 0
复杂度: 829

ALIASES

名称与别名

共 2 条

MUJFDFXICXFNEE-UHFFFAOYSA-M3-[(acetyloxy)methyl]-7-[[2-carboethoxy-2-(1-pyrryl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid sodium salt

REACTIONS

参与反应

1 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04148998

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