HCID13051156

7-amino-3-[1-(2-propynyl)-1H-tetrazol-5-yl]thiomethyl-3-cephem-4-carboxylic acid

(6R)-7-amino-8-oxo-3-[(1-prop-2-ynyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C12H12N6O3S2352.4 g/mol

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IDENTITY

结构与身份

标准SMILES: C#CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(N)[C@H]2SC1
InChIKey: IMCNZWIKNWUURJ-OMNKOJBGSA-N
分子式: C12H12N6O3S2
平均分子量: 352.4 g/mol
单同位素质量: 352.04123061

COMPUTED

结构计算性质

已同步

XLogP: -3.4
极性表面积: 178 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 5
重原子: 23
形式电荷: 0
复杂度: 617

ALIASES

名称与别名

共 4 条

SCHEMBL10782115IMCNZWIKNWUURJ-OMNKOJBGSA-N7-amino-3-[1-(2-propynyl)-1H-tetrazol-5-yl]thiomethyl-3-cephem-4-carboxylic acid7-amino-3-[1-(2-propynyl)-1H-tetrazole-5-yl]thiomethyl-3-cephem-4-carboxylic acid

REACTIONS

参与反应

8 条

uspto-grants-1985_08 · 10.6084/m9.figshare.5104873.v1 · US04533738

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uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04563450

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uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04563450

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uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04563450

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uspto-grants-1983_11 · 10.6084/m9.figshare.5104873.v1 · US04416879

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uspto-grants-1983_09 · 10.6084/m9.figshare.5104873.v1 · US04405617

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uspto-grants-1983_09 · 10.6084/m9.figshare.5104873.v1 · US04405617

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uspto-grants-1983_09 · 10.6084/m9.figshare.5104873.v1 · US04405617

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