Analyte Name

4-Nitrophenyl-methoxycarbonylamino Amoxicillin

CAS Number

109880-73-1

Molecular Formula

C24 H24 N4 O9 S

Molecular Weight

544.534

Accurate Mass

544.126

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)OCc3ccc(cc3)[N+](=O)[O-])c4ccc(O)cc4)C(=O)N2[C@H]1C(=O)O

InChI

InChI=1S/C24H24N4O9S/c1-24(2)18(22(32)33)27-20(31)17(21(27)38-24)25-19(30)16(13-5-9-15(29)10-6-13)26-23(34)37-11-12-3-7-14(8-4-12)28(35)36/h3-10,16-18,21,29H,11H2,1-2H3,(H,25,30)(H,26,34)(H,32,33)/t16-,17-,18+,21-/m1/s1

IUPAC

(2S,5R,6R)-6-[[(2R)-2-(4-hydroxyphenyl)-2-[(4-nitrophenyl)methoxycarbonylamino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat