Cefoperazone A

7-[[2-[2-[ethyl(oxalo)amino]ethylcarbamoylamino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Cefoperazone A|Cefoperazone Impurity 46|7-(2-(3-(2-(1-carboxy-N-ethylformamido)ethyl)ureido)-2-(4-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-[[2-[2-[ethyl(oxalo)amino]ethylcarbamoylamino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C25H29N9O9S2
Molecular Weight	663.15295 g/mol
LogP	-1.28
Topological Polar Surface Area	249.28 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	12
Rotatable Bonds	12
Exact Mass	663.15295
Monoisotopic Mass	663.15295
Heavy Atoms	45
Complexity	1531.8851

Chemical Identifiers

CAS Number	73240-07-0
SMILES	CCN(CCNC(=O)NC(C1=CC=C(C=C1)O)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)C(=O)C(=O)O