Analyte Name

Benzyl Penicillinate-13C6 Potassium Salt

Molecular Formula

13C6 C10 H17 K N2 O4 S

Molecular Weight

378.436

Accurate Mass

378.075

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)C[13c]3[13cH][13cH][13cH][13cH][13cH]3)C(=O)N2[C@H]1C(=O)O[K]

InChI

InChI=1S/C16H18N2O4S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1/i3+1,4+1,5+1,6+1,7+1,9+1;

IUPAC

[(2S,5R,6R)-6-[[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxypotassium

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat