Analyte Name

Piperacillin Thiazolamide Dimer

Molecular Formula

C46 H56 N10 O15 S2

Molecular Weight

1053.125

Accurate Mass

1052.337

SMILES

CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]([C@@H]2N[C@@H](C(=O)N3[C@H](SC(C)(C)[C@@H]3C(=O)O)[C@H](NC(=O)[C@H](NC(=O)N4CCN(CC)C(=O)C4=O)c5ccccc5)C(=O)O)C(C)(C)S2)C(=O)O)c6ccccc6)C(=O)C1=O

InChI

InChI=1S/C46H56N10O15S2/c1-7-52-19-21-54(37(62)35(52)60)43(70)49-25(23-15-11-9-12-16-23)31(57)47-27(40(64)65)33-51-29(45(3,4)72-33)34(59)56-30(42(68)69)46(5,6)73-39(56)28(41(66)67)48-32(58)26(24-17-13-10-14-18-24)50-44(71)55-22-20-53(8-2)36(61)38(55)63/h9-18,25-30,33,39,51H,7-8,19-22H2,1-6H3,(H,47,57)(H,48,58)(H,49,70)(H,50,71)(H,64,65)(H,66,67)(H,68,69)/t25-,26-,27+,28+,29+,30+,33-,39-/m1/s1

IUPAC

(2R,4S)-2-[(R)-carboxy-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-3-[(2R,4S)-2-[(R)-carboxy-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat