Analyte Name

N-Boc Desaceto tert-Butyl Isobutyrate Desethynyl Chloroethyl p-Methylanisole (E)-Cefixime

Molecular Formula

C34H42ClN5O11S2

Molecular Weight

796.3

Accurate Mass

795.2

SMILES

[H][C@]12S(CC(CCl)=C(C(OCC3=CC=C(OC)C=C3)=O)N1C([C@H]2NC(/C(C4=CSC(NC(OC(C)(C)C)=O)=N4)=N/OC(C)(C(OC(C)(C)C)=O)C)=O)=O)=O

InChI

InChI=1S/C34H42ClN5O11S2/c1-32(2,3)49-29(44)34(7,8)51-39-22(21-16-52-30(36-21)38-31(45)50-33(4,5)6)25(41)37-23-26(42)40-24(19(14-35)17-53(46)27(23)40)28(43)48-15-18-10-12-20(47-9)13-11-18/h10-13,16,23,27H,14-15,17H2,1-9H3,(H,37,41)(H,36,38,45)/b39-22+/t23-,27-,53?/m1/s1

IUPAC

4-methoxybenzyl (6R,7R)-7-(2-(((1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)acetamido)-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 5-oxide

Alternate CAS Number

2243393-72-6

Country of Origin

CANADA

Product Format

Neat