Analyte Name

Piperacillinylamplicillin (Open Ring) Disodium Salt

Molecular Formula

C39 H44 N8 Na2 O11 S2

Molecular Weight

910.923

Accurate Mass

910.237

SMILES

CCN1CCN(C(=O)N[C@@H](C(=O)NC(C2N[C@@H](C(=O)O[Na])C(C)(C)S2)C(=O)N[C@@H](C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O[Na])c5ccccc5)c6ccccc6)C(=O)C1=O

InChI

InChI=1S/C39H46N8O11S2.2Na/c1-6-45-17-18-46(33(53)32(45)52)37(58)43-22(20-15-11-8-12-16-20)28(49)41-23(30-44-25(35(54)55)38(2,3)59-30)29(50)40-21(19-13-9-7-10-14-19)27(48)42-24-31(51)47-26(36(56)57)39(4,5)60-34(24)47;;/h7-16,21-26,30,34,44H,6,17-18H2,1-5H3,(H,40,50)(H,41,49)(H,42,48)(H,43,58)(H,54,55)(H,56,57);;/q;2*+1/p-2/t21-,22-,23?,24-,25+,26+,30?,34-;;/m1../s1

IUPAC

[(4S)-2-[2-[[(1R)-2-[[(2S,5R,6R)-3,3-dimethyl-7-oxo-2-sodiooxycarbonyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxo-1-phenylethyl]amino]-1-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]oxysodium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat