Analyte Name

(3R,5R,6S)-3-[(3R)-4-[benzyl-[(2S)-4,4-dideuterio-2-hydroxy-4-[(3S,5S,6R)-2-oxo-5,6-diphenylmorpholin-3-yl]butyl]amino]-1,1-dideuterio-3-hydroxybutyl]-5,6-diphenylmorpholin-2-one

Molecular Formula

C47 D4 H47 N3 O6

Molecular Weight

757.949

Accurate Mass

757.403

SMILES

[2H]C([2H])(C[C@H](O)CN(C[C@H](O)CC([2H])([2H])[C@H]1N[C@@H]([C@@H](OC1=O)c2ccccc2)c3ccccc3)Cc4ccccc4)[C@@H]5N[C@H]([C@H](OC5=O)c6ccccc6)c7ccccc7

InChI

InChI=1S/C47H51N3O6/c51-38(26-28-40-46(53)55-44(36-22-12-4-13-23-36)42(48-40)34-18-8-2-9-19-34)31-50(30-33-16-6-1-7-17-33)32-39(52)27-29-41-47(54)56-45(37-24-14-5-15-25-37)43(49-41)35-20-10-3-11-21-35/h1-25,38-45,48-49,51-52H,26-32H2/t38-,39+,40-,41+,42-,43+,44+,45-/i28D2,29D2

IUPAC

(3R,5R,6S)-3-[(3R)-4-[benzyl-[(2S)-4,4-dideuterio-2-hydroxy-4-[(3S,5S,6R)-2-oxo-5,6-diphenylmorpholin-3-yl]butyl]amino]-1,1-dideuterio-3-hydroxybutyl]-5,6-diphenylmorpholin-2-one

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat