Nome dell'analita

Piperacillin Impurity 4-D5

Formula molecolare

C41 D5 H43 N8 O10 S2

Peso molecolare

882.028

Massa accurata

881.325

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](C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)OCC)c6ccccc6)c7ccccc7)C(=O)C1=O

InChI

InChI=1S/C41H48N8O10S2/c1-7-46-19-20-47(35(56)34(46)55)39(58)45-24(22-17-13-10-14-18-22)30(51)44-25-32(53)48-27(40(3,4)60-36(25)48)31(52)42-23(21-15-11-9-12-16-21)29(50)43-26-33(54)49-28(38(57)59-8-2)41(5,6)61-37(26)49/h9-18,23-28,36-37H,7-8,19-20H2,1-6H3,(H,42,52)(H,43,50)(H,44,51)(H,45,58)/t23-,24-,25-,26-,27+,28+,36-,37-/m1/s1/i1D3,7D2

IUPAC

ethyl (2S,5R,6R)-6-[[(2R)-2-[[(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]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Tipologia SIL

Deuterium

Temperatura di spedizione

Room Temperature

Paese di origine

CANADA

Formato del prodotto

Neat