Analyte Name

APA Amoxicillin Amide-d4

Molecular Formula

C24 D4 H25 N5 O7 S2

Molecular Weight

567.671

Accurate Mass

567.176

SMILES

[2H]c1c([2H])c([C@@H](N)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(=O)O)c([2H])c([2H])c1O

InChI

InChI=1S/C24H29N5O7S2/c1-23(2)14(17(32)27-13-19(34)29-15(22(35)36)24(3,4)38-21(13)29)28-18(33)12(20(28)37-23)26-16(31)11(25)9-5-7-10(30)8-6-9/h5-8,11-15,20-21,30H,25H2,1-4H3,(H,26,31)(H,27,32)(H,35,36)/t11-,12-,13-,14+,15+,20-,21-/m1/s1/i5D,6D,7D,8D

IUPAC

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

Unlabelled CAS Number

1789703-32-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat