CP 1282

(6R,7S)-7-[[2-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanyl]acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: CP 1282|Cefotetan Impurity 12|CP 1282 (>85%)|(6R,7S)-7-[[2-[(4-carboxy-3-oxo-1,2-thiazol-5-yl)sulfanyl]acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid,7-((((4-carboxy-2,3-dihydro-3-oxo-5-isothiazolyl)thio)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-cis)-|(6R,7S)-7-(2-((4-carboxy-3-hydroxyisothiazol-5-yl)thio)acetamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7S)-7-{2-[(4-Carboxy-3-oxo-2,3-dihydro-1,2-thiazol-5-yl)sulfanyl]acetamido}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R-cis)-7-[[[(4-Carboxy-2,3-dihydro-3-oxo-5-isothiazolyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; (6R,7S)-7-[[[(4-Carboxy-2,3-dihydro-3-oxo-5-isothiazolyl)thio]acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid;

Molecular Formula	C17H17N7O8S4
Molecular Weight	575.00214 g/mol
LogP	-0.4
Topological Polar Surface Area	307.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	15
Rotatable Bonds	10
Exact Mass	575.00214
Monoisotopic Mass	575.00214
Heavy Atoms	36
Complexity	1090.0

Chemical Identifiers

CAS Number	69712-30-7
SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC4=C(C(=O)NS4)C(=O)O)OC)SC2)C(=O)O
InChIKey	WCUINLYXNAJTNU-WBVHZDCISA-N