Analyte Name

S-Methyl-cefmetazole

CAS Number

68576-47-6

Molecular Formula

C15H17N7O4S4

Molecular Weight

487.6

Accurate Mass

487.02

SMILES

O=C1[C@](NC(CSCC#N)=O)(SC)[C@@]2([H])SCC(SCC3=NN=NN3C)=C(C(O)=O)N21

InChI

InChI=1S/C15H17N7O4S4/c1-21-9(18-19-20-21)6-29-8-5-30-14-15(27-2,17-10(23)7-28-4-3-16)13(26)22(14)11(8)12(24)25/h14H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t14-,15?/m1/s1

IUPAC

(6R,7S)-7-(2-((cyanomethyl)thio)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)methyl)thio)-7-(methylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat