Analyte Name

7beta-[(Z)-2-(2-Aminothiazol-4-yl)-2-(1-carboxy-1-methylethoxyimino)acetamido]-3-acetoxymethyl-3-cephem-4-carboxylic Acid tert-Butyl Ester

CAS Number

98382-95-7

Molecular Formula

C23H29N5O9S2

Molecular Weight

583.63

Accurate Mass

583.1407

SMILES

CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)\C(=N/OC(C)(C)C(=O)OC(C)(C)C)\c3csc(N)n3)C2=O)C(=O)O

InChI

InChI=1S/C23H29N5O9S2/c1-10(29)35-7-11-8-38-18-14(17(31)28(18)15(11)19(32)33)26-16(30)13(12-9-39-21(24)25-12)27-37-23(5,6)20(34)36-22(2,3)4/h9,14,18H,7-8H2,1-6H3,(H2,24,25)(H,26,30)(H,32,33)/b27-13-/t14-,18-/m1/s1

IUPAC

(6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat