N-(Methyl But-2-enoyl) Amoxicillin

Analyte Name

N-(Methyl But-2-enoyl) Amoxicillin

CAS Number

60781-73-9

Molecular Formula

C21 H25 N3 O7 S

Molecular Weight

463.504

Accurate Mass

463.141

SMILES

COC(=O)\C=C(/C)\N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O)c3ccc(O)cc3

InChI

InChI=1S/C21H25N3O7S/c1-10(9-13(26)31-4)22-14(11-5-7-12(25)8-6-11)17(27)23-15-18(28)24-16(20(29)30)21(2,3)32-19(15)24/h5-9,14-16,19,22,25H,1-4H3,(H,23,27)(H,29,30)/b10-9+/t14-,15-,16+,19-/m1/s1

IUPAC

(2S,5R,6R)-6-[[(2R)-2-(4-hydroxyphenyl)-2-[[(E)-4-methoxy-4-oxobut-2-en-2-yl]amino]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