Desulfo Aztreonam tert-Butyl Ester-D6

Analyte Name

Desulfo Aztreonam tert-Butyl Ester-D6

Molecular Formula

C17 D6 H19 N5 O5 S

Molecular Weight

417.513

Accurate Mass

417.195

SMILES

[2H]C([2H])([2H])C(O\N=C(/C(=O)N[C@H]1[C@H](C)NC1=O)\c2csc(N)n2)(C(=O)OC(C)(C)C)C([2H])([2H])[2H]

InChI

InChI=1S/C17H25N5O5S/c1-8-10(12(23)19-8)21-13(24)11(9-7-28-15(18)20-9)22-27-17(5,6)14(25)26-16(2,3)4/h7-8,10H,1-6H3,(H2,18,20)(H,19,23)(H,21,24)/b22-11-/t8-,10-/m0/s1/i5D3,6D3

IUPAC

tert-butyl 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-methyl-4-oxoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-3,3,3-trideuterio-2-(trideuteriomethyl)propanoate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat