Analyte Name

6-APA Piperacillin Dimer-d5

Molecular Formula

C31 D5 H32 N7 O9 S2

Molecular Weight

720.828

Accurate Mass

720.241

SMILES

[2H]C([2H])([2H])C([2H])([2H])N1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)O)c6ccccc6)C(=O)C1=O

InChI

InChI=1S/C31H37N7O9S2/c1-6-35-12-13-36(25(44)24(35)43)29(47)34-15(14-10-8-7-9-11-14)20(39)32-16-22(41)37-18(30(2,3)48-26(16)37)21(40)33-17-23(42)38-19(28(45)46)31(4,5)49-27(17)38/h7-11,15-19,26-27H,6,12-13H2,1-5H3,(H,32,39)(H,33,40)(H,34,47)(H,45,46)/t15-,16-,17-,18+,19+,26-,27-/m1/s1/i1D3,6D2

IUPAC

(2S,5R,6R)-6-[[(2S,5R,6R)-6-[[(2R)-2-[[2,3-dioxo-4-(1,1,2,2,2-pentadeuterioethyl)piperazine-1-carbonyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat