Desfuroyl ceftiofur cysteine disulfide

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Systematic / IUPAC Name: 3-{[(2-Amino-2-carboxyethyl)disulfanyl]methyl}-7-{[(2-amino-1,3-thiazol-4-yl)(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

ID: Reference7258

Other Names: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-{[(2-amino-2-carboxyethyl)dithio]methyl}-7-{[2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino}-8-oxo-

Formula: C17H20N6O7S4

Spectral Data

Desfuroyl ceftiofur cysteine disulfide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 233
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/15/2018 11:56:44 AM
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Identificators

InChI InChI=1S/C17H20N6O7S4/c1-30-22-9(8-5-32-17(19)20-8)12(24)21-10-13(25)23-11(16(28)29)6(2-31-14(10)23)3-33-34-4-7(18)15(26)27/h5,7,10,14H,2-4,18H2,1H3,(H2,19,20)(H,21,24)(H,26,27)(H,28,29)
InChI Key JOKBPDNPVWSNNL-UHFFFAOYSA-N
Canonical SMILES CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSSCC(C(=O)O)N)C(=O)O
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Other Names 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-{[(2-amino-2-carboxyethyl)dithio]methyl}-7-{[2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino}-8-oxo-

In Other Databases

PubChem 91992449
ChemSpider 50645392