Analyte Name

N-Pyrrolidino Amidinyl Ceftobiprole

CAS Number

209467-56-1

Molecular Formula

C21 H24 N10 O6 S2

Molecular Weight

576.609

Accurate Mass

576.132

SMILES

NC(=N)N1CC[C@H](C1)N2CC\C(=C/C3=C(N4[C@H](SC3)[C@H](NC(=O)\C(=N/O)\c5nsc(N)n5)C4=O)C(=O)O)\C2=O

InChI

InChI=1S/C21H24N10O6S2/c22-20(23)29-3-2-10(6-29)30-4-1-8(16(30)33)5-9-7-38-18-12(17(34)31(18)13(9)19(35)36)25-15(32)11(27-37)14-26-21(24)39-28-14/h5,10,12,18,37H,1-4,6-7H2,(H3,22,23)(H,25,32)(H,35,36)(H2,24,26,28)/b8-5+,27-11-/t10-,12-,18-/m1/s1

IUPAC

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-[1-[(3R)-1-carbamimidoylpyrrolidin-3-yl]-2-oxopyrrolidin-3-ylidene]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat