Analyte Name

(3S,5S,6R)-3-[(3R)-4-Bromo-3-hydroxybutyl]-2-oxo-5,6-diphenyl-4-morpholinecarboxylic Acid tert-Butyl Ester-d2

Molecular Formula

C25 D2 H28 Br N O5

Molecular Weight

506.426

Accurate Mass

505.143

SMILES

[2H]C([2H])(C[C@@H](O)CBr)C1N([C@H]([C@H](OC1=O)c2ccccc2)c3ccccc3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30BrNO5/c1-25(2,3)32-24(30)27-20(15-14-19(28)16-26)23(29)31-22(18-12-8-5-9-13-18)21(27)17-10-6-4-7-11-17/h4-13,19-22,28H,14-16H2,1-3H3/t19-,20?,21+,22-/m1/s1/i15D2

IUPAC

tert-butyl (5S,6R)-3-[(3R)-4-bromo-1,1-dideuterio-3-hydroxybutyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate

Alternate CAS Number

869111-53-5

Unlabelled CAS Number

869111-53-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat