Ampicillin Amino-benzeneacetaldehyde-N-butenoic Acid Methyl Ester

Analyte Name

Ampicillin Amino-benzeneacetaldehyde-N-butenoic Acid Methyl Ester

Molecular Formula

C29 H32 N4 O7 S

Molecular Weight

580.652

Accurate Mass

580.199

SMILES

COC(=O)\C=C(/C)\N[C@@H](C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)O)c3ccccc3)c4ccccc4

InChI

InChI=1S/C29H32N4O7S/c1-16(15-19(34)40-4)30-20(17-11-7-5-8-12-17)24(35)31-21(18-13-9-6-10-14-18)25(36)32-22-26(37)33-23(28(38)39)29(2,3)41-27(22)33/h5-15,20-23,27,30H,1-4H3,(H,31,35)(H,32,36)(H,38,39)/b16-15+/t20-,21-,22-,23+,27-/m1/s1

IUPAC

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