p-Hydroxy-(D)-phenylglycyl Amoxicillin-d4

Analyte Name

p-Hydroxy-(D)-phenylglycyl Amoxicillin-d4

Molecular Formula

C24 D4 H22 N4 O7 S

Molecular Weight

518.576

Accurate Mass

518.177

SMILES

[2H]c1c([2H])c([C@@H](NC(=O)[C@H](N)c2ccc(O)cc2)C(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)O)c([2H])c([2H])c1O

InChI

InChI=1S/C24H26N4O7S/c1-24(2)18(23(34)35)28-21(33)17(22(28)36-24)27-20(32)16(12-5-9-14(30)10-6-12)26-19(31)15(25)11-3-7-13(29)8-4-11/h3-10,15-18,22,29-30H,25H2,1-2H3,(H,26,31)(H,27,32)(H,34,35)/t15-,16-,17-,18+,22-/m1/s1/i5D,6D,9D,10D

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat