HCID54547

7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C15H17N5O6S2427.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1
InChIKey: WYUSVOMTXWRGEK-UHFFFAOYSA-N
分子式: C15H17N5O6S2
平均分子量: 427.5 g/mol
单同位素质量: 427.06202563

COMPUTED

结构计算性质

已同步

XLogP: -1.4
极性表面积: 210 Å²
氢键供体: 3
氢键受体: 11
可旋转键: 7
重原子: 28
形式电荷: 0
复杂度: 744

ALIASES

名称与别名

共 12 条

7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidDTXSID90861021WYUSVOMTXWRGEK-UHFFFAOYSA-NICX5604996NS00077994J-033932Cefpodoxime acid, Antibiotic for Culture Media Use Only(6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2. 0]oct-2-ene-2-carboxylic acid7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxy-methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[[2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid7-[2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

REACTIONS

参与反应

2 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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