Analyte Name

1-(((6R,7R)-2-((Benzhydryloxy)carbonyl)-7-((E)-benzylideneamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl)-1-methylpyrrolidin-1-ium Iodide-d8

Molecular Formula

C33 D8 H26 N3 O3 S . I

Molecular Weight

687.66

Accurate Mass

687.187

SMILES

[I-].[2H]C1([2H])C([2H])([2H])C([2H])([2H])[N+](C)(CC2=C(N3[C@H](SC2)[C@H](\N=C\c4ccccc4)C3=O)C(=O)OC(c5ccccc5)c6ccccc6)C1([2H])[2H]

InChI

InChI=1S/C33H34N3O3S.HI/c1-36(19-11-12-20-36)22-27-23-40-32-28(34-21-24-13-5-2-6-14-24)31(37)35(32)29(27)33(38)39-30(25-15-7-3-8-16-25)26-17-9-4-10-18-26;/h2-10,13-18,21,28,30,32H,11-12,19-20,22-23H2,1H3;1H/q+1;/p-1/b34-21+;/t28-,32-;/m1./s1/i11D2,12D2,19D2,20D2;

IUPAC

benzhydryl (6R,7R)-7-[(E)-benzylideneamino]-3-[(2,2,3,3,4,4,5,5-octadeuterio-1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;iodide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat