Cephalosporin 112883

(6R,7R)-7-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]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: Guanylureidocephalosporin|Cephalosporin 112883|(6R,7R)-7-[[2-(diaminomethylidenecarbamoylamino)-2-phenylacetyl]amino]-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-((((((aminoiminomethyl)amino)carbonyl)amino)phenylacetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta))-|(6R,7R)-7-[(2-{[(Carbamimidoylamino)(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-[(2-{[Carbamimidamido(hydroxy)methylidene]amino}-1-hydroxy-2-phenylethylidene)amino]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C20H22N10O5S2
Molecular Weight	546.1216 g/mol
LogP	-1.2349
Topological Polar Surface Area	223.81 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	546.1216
Monoisotopic Mass	546.1216
Heavy Atoms	37
Complexity	1293.4438

Chemical Identifiers

CAS Number	58801-40-4
SMILES	CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(C4=CC=CC=C4)NC(=O)N=C(N)N)SC2)C(=O)O