1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium; sulfuric acid

CAS: 98753-19-6

Formula: C22H25N6O9S3

SMILES: OS(O)(=O)=O.CON=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3=CC=CC4=C3CCC4)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

IUPAC: 1-{[(6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-5H,6H,7H-cyclopenta[b]pyridin-1-ium; sulfuric acid

InChI: InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/p+1/b26-15-;/t16-,20-;/m1./s1

Composition: C (43.06%), H (4.11%), N (13.70%), O (23.46%), S (15.67%)

Molar Mass: 613.65

Atom Count: 65

Heavy Atom Count: 40