Analyte Name

PPI 0903M-d3

Molecular Formula

C22H17D3N8O5S4

Molecular Weight

607.72

Accurate Mass

607.06

SMILES

[O-]C(C1=C(CS[C@@]([H])(N1C2=O)[C@@H]2NC(/C(C3=NSC(N)=N3)=N\OCC)=O)SC4=NC(C5=CC=[N+](C=C5)C([2H])([2H])[2H])=CS4)=O

InChI

InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1/i2D3

IUPAC

(6R,7R)-7-((Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetamido)-3-((4-(1-(methyl-d3)pyridin-1-ium-4-yl)thiazol-2-yl)thio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Unlabelled CAS Number

189345-04-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat