Analyte Name

Aztreonam E-Isomer

CAS Number

99341-02-3

Molecular Formula

C13 H17 N5 O8 S2

Molecular Weight

435.43

Accurate Mass

435.0519

SMILES

C[C@H]1[C@H](NC(=O)\C(=N\OC(C)(C)C(=O)O)\c2csc(N)n2)C(=O)N1S(=O)(=O)O

InChI

InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+/t5-,7-/m0/s1

IUPAC

2-[(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat