Analyte Name

N-tert-Butoxycarbonylcephalexin

CAS Number

28180-92-9

Molecular Formula

C21H25N3O6S

Molecular Weight

447.5

Accurate Mass

447.1464

SMILES

CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)c3ccccc3)C2=O)C(=O)O

InChI

InChI=1S/C21H25N3O6S/c1-11-10-31-18-14(17(26)24(18)15(11)19(27)28)22-16(25)13(12-8-6-5-7-9-12)23-20(29)30-21(2,3)4/h5-9,13-14,18H,10H2,1-4H3,(H,22,25)(H,23,29)(H,27,28)/t13-,14-,18-/m1/s1

IUPAC

(6R,7R)-3-methyl-7-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-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