MLS001049037

(6R,7R)-7-(4-carboxybutanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Also Known As: BAS 10318729|J1.910.297A|AB00637159-05|(6R,7R)-7-[(4-carboxy-1-oxobutyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-(4-CARBOXYBUTANAMIDO)-3-METHYL-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID|(7R)-3-Methyl-7-[(1-oxo-4-carboxybutyl)amino]cepham-3-ene-4-carboxylic acid|(7R)-7beta-[(4-Carboxybutanoyl)amino]-3-methylcepham-3-ene-4-carboxylic acid|(6R,7R)-3-methyl-8-oxidanylidene-7-[(5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-(4-carboxybutanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-(4-carboxybutanoylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-[(5-hydroxy-5-oxopentanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C13H16N2O6S
Molecular Weight	328.0729 g/mol
LogP	-0.0002
Topological Polar Surface Area	124.01 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	328.0729
Monoisotopic Mass	328.0729
Heavy Atoms	22
Complexity	572.8776

Chemical Identifiers

CAS Number	60758-77-2
SMILES	CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O