N-Pyrrolidino Iminomethyl Ceftobiprole

Analyte Name

N-Pyrrolidino Iminomethyl Ceftobiprole

CAS Number

209467-54-9

Molecular Formula

C21 H23 N9 O6 S2

Molecular Weight

561.594

Accurate Mass

561.121

SMILES

Nc1nc(ns1)\C(=N\O)\C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)\C=C\4/CCN([C@@H]5CCN(C5)C=N)C4=O

InChI

InChI=1S/C21H23N9O6S2/c22-8-28-3-2-11(6-28)29-4-1-9(17(29)32)5-10-7-37-19-13(18(33)30(19)14(10)20(34)35)24-16(31)12(26-36)15-25-21(23)38-27-15/h5,8,11,13,19,22,36H,1-4,6-7H2,(H,24,31)(H,34,35)(H2,23,25,27)/b9-5+,22-8?,26-12-/t11-,13-,19-/m1/s1

IUPAC

(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-hydroxyiminoacetyl]amino]-3-[(E)-[1-[(3R)-1-methanimidoylpyrrolidin-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