Analyte Name

(6R-trans)-((2-((Diphenylmethoxy)carbonyl)-8-oxo-7-((phenylacetyl)amino)-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)triphenylphosphonium Iodide

CAS Number

107550-89-0

Molecular Formula

C47 H40 N2 O4 P S . I

Molecular Weight

886.775

Accurate Mass

886.149

SMILES

[I-].O=C(Cc1ccccc1)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)OC(c4ccccc4)c5ccccc5)C[P+](c6ccccc6)(c7ccccc7)c8ccccc8

InChI

InChI=1S/C47H39N2O4PS.HI/c50-41(31-34-19-7-1-8-20-34)48-42-45(51)49-43(47(52)53-44(35-21-9-2-10-22-35)36-23-11-3-12-24-36)37(33-55-46(42)49)32-54(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40;/h1-30,42,44,46H,31-33H2;1H/t42-,46-;/m1./s1

IUPAC

[(6R,7R)-2-benzhydryloxycarbonyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl-triphenylphosphanium;iodide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat