HCID131712550

2-Methyl-7-[2-hexyloxyimino-2-(2-formylaminothiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid

(6R)-7-[[2-(2-formamido-1,3-thiazol-4-yl)-2-hexoxyiminoacetyl]amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C20H25N5O6S2495.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCCCCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=CC(C)S[C@H]12)c1csc(NC=O)n1
InChIKey: KJGKMRMJDKQJMS-ZQYHRHEKSA-N
分子式: C20H25N5O6S2
平均分子量: 495.6 g/mol
单同位素质量: 495.12462588

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 204 Å²
氢键供体: 3
氢键受体: 10
可旋转键: 11
重原子: 33
形式电荷: 0
复杂度: 838

ALIASES

名称与别名

共 3 条

KJGKMRMJDKQJMS-ZQYHRHEKSA-N2-methyl-7-[2-hexyloxyimino-2-(2-formylaminothiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid2-methyl-7-[2-hexyloxyimino-2-(2-formylimino-2,3-dihydrothiazol-4-yl)acetamido]-3-cephem-4-carboxylic acid

REACTIONS

参与反应

2 条

uspto-grants-1981_11 · 10.6084/m9.figshare.5104873.v1 · US04299829

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uspto-grants-1981_11 · 10.6084/m9.figshare.5104873.v1 · US04299829

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