Analyte Name

1-[(2R)-N'-Boc-2-amino-2-cyclohexylacetyl]-N-(4'-cyanobenzyl)-2-L-azetidinecarboxamide-d11

CAS Number

1356352-32-3

Molecular Formula

C25H23D11N4O4

Molecular Weight

465.63

Accurate Mass

465.327

SMILES

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N)C([2H])([2H])C1([2H])[2H]

InChI

InChI=1S/C25H34N4O4/c1-25(2,3)33-24(32)28-21(19-7-5-4-6-8-19)23(31)29-14-13-20(29)22(30)27-16-18-11-9-17(15-26)10-12-18/h9-12,19-21H,4-8,13-14,16H2,1-3H3,(H,27,30)(H,28,32)/t20-,21+/m0/s1/i4D2,5D2,6D2,7D2,8D2,19D

IUPAC

tert-butyl N-[(1R)-2-[(2S)-2-[(4-cyanophenyl)methylcarbamoyl]azetidin-1-yl]-2-oxo-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethyl]carbamate

Unlabelled CAS Number

1356848-29-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat