(6R,7R)-Benzhydryl 8-oxo-7-(2-phenylacetamido)-3-((4-(pyridin-4-yl)thiazol-2-yl)thio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Analyte Name

(6R,7R)-Benzhydryl 8-oxo-7-(2-phenylacetamido)-3-((4-(pyridin-4-yl)thiazol-2-yl)thio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS Number

400827-68-1

Molecular Formula

C36 H28 N4 O4 S3

Molecular Weight

676.827

Accurate Mass

676.127

SMILES

O=C(Cc1ccccc1)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)OC(c4ccccc4)c5ccccc5)Sc6nc(cs6)c7ccncc7

InChI

InChI=1S/C36H28N4O4S3/c41-29(20-23-10-4-1-5-11-23)39-30-33(42)40-31(35(43)44-32(25-12-6-2-7-13-25)26-14-8-3-9-15-26)28(22-45-34(30)40)47-36-38-27(21-46-36)24-16-18-37-19-17-24/h1-19,21,30,32,34H,20,22H2,(H,39,41)/t30-,34-/m1/s1

IUPAC

benzhydryl (6R,7R)-8-oxo-7-[(2-phenylacetyl)amino]-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Country of Origin

CANADA

Product Format

Neat