Cephalosporin 7/30

(6R,7R)-7-[(2-benzylsulfanylacetyl)amino]-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: Cephalosporin 7/30|(6R-trans)-3-((((Dimethylamino)thioxomethyl)thio)methyl)-8-oxo-7-((((phenylmethyl)thio)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid|(6R,7R)-7-[(2-benzylsulfanylacetyl)amino]-3-(dimethylcarbamothioylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6r,7r)-7-{[(benzylsulfanyl)acetyl]amino}-3-{[(dimethylcarbamothioyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{[2-(Benzylsulfanyl)-1-hydroxyethylidene]amino}-3-{[(dimethylcarbamothioyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-((((Dimethylamino)thioxomethyl)thio)methyl)-8-oxo-7-((((phenylmethyl)thio)acetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-trans)-|5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((((dimethylamino)thioxomethyl)thio)methyl)-8-oxo-7-((((phenylmethyl)thio)acetyl)amino)-, (6R-trans)-|7-{[2-(Benzylsulfanyl)-1-hydroxyethylidene]amino}-3-{[(dimethylcarbamothioyl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C20H23N3O4S4
Molecular Weight	497.05713 g/mol
LogP	1.9
Topological Polar Surface Area	198.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	497.05713
Monoisotopic Mass	497.05713
Heavy Atoms	31
Complexity	768.0

Chemical Identifiers

CAS Number	987-69-9
SMILES	CN(C)C(=S)SCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSCC3=CC=CC=C3)SC1)C(=O)O
InChIKey	AMHZVJJYDORHJA-CRAIPNDOSA-N