Oprea1_089321

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

Also Known As: Oprea1_089321|EINECS 269-483-5|EINECS 248-379-3|BAS 06290987|(6R-cis)-3-Methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid|Phenylacetyl 7-aminodesacetoxycephalosporanic acid|(6R,7S)-3-METHYL-8-OXO-7-(2-PHENYLACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID|-3-methyl-8-oxo-7- -5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid|(6R,6beta)-3-Methyl-8-oxo-7beta-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7S)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7S)-3-Methyl-8-oxo-7beta-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R-CIS)-3-METHYL-8-OXO-7-(PHENYLACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID|(6R-trans)-3-Methyl-8-oxo-7-(phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Molecular Formula	C16H16N2O4S
Molecular Weight	332.08307 g/mol
LogP	0.9876
Topological Polar Surface Area	86.71 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	332.08307
Monoisotopic Mass	332.08307
Heavy Atoms	23
Complexity	701.2916

Chemical Identifiers

CAS Number	27255-72-7
SMILES	CC1=C(N2[C@@H]([C@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O