Analyte Name

Ampilloyl Aminopenicillanic Acid Sodium Salt

Molecular Formula

C24H29N5Na2O7S2

Molecular Weight

609.62

Accurate Mass

609.13

SMILES

O=C([C@@H](C1=CC=CC=C1)N)NC([C@@]2(N[C@H](C(C)(S2)C)C(O[Na])=O)[H])C(N[C@@H]3C(N4[C@]3([H])SC(C)(C)[C@@H]4C(O[Na])=O)=O)=O

InChI

InChI=1S/C24H31N5O7S2.2Na/c1-23(2)14(21(33)34)28-18(37-23)12(26-16(30)11(25)10-8-6-5-7-9-10)17(31)27-13-19(32)29-15(22(35)36)24(3,4)38-20(13)29;;/h5-9,11-15,18,20,28H,25H2,1-4H3,(H,26,30)(H,27,31)(H,33,34)(H,35,36);;/q;2*+1/p-2/t11-,12?,13-,14+,15+,18-,20-;;/m1../s1

IUPAC

Sodium (2S,5R,6R)-6-(2-((R)-2-amino-2-phenylacetamido)-2-((2R,4S)-4-carboxylato-5,5-dimethylthiazolidin-2-yl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Country of Origin

CANADA

Product Format

Neat