Analyte Name

PPI-2206-d8

Molecular Formula

C34 D8 H28 F N5 O7

Molecular Weight

653.727

Accurate Mass

653.31

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@]([2H])(O)C(=O)N[C@H]1Cc2ccc3O[C@H]4Nc5ccc(F)cc5[C@@]4(c6oc(nc6c7occ(CO)n7)[C@@H](NC1=O)C(C)(C)C)c3c2

InChI

InChI=1S/C34H36FN5O7/c1-15(2)25(42)29(44)37-22-11-16-6-9-23-20(10-16)34(19-12-17(35)7-8-21(19)38-32(34)46-23)27-24(30-36-18(13-41)14-45-30)39-31(47-27)26(33(3,4)5)40-28(22)43/h6-10,12,14-15,22,25-26,32,38,41-42H,11,13H2,1-5H3,(H,37,44)(H,40,43)/t22-,25-,26+,32+,34-/m0/s1/i1D3,2D3,15D,25D

IUPAC

(2S)-N-[(1S,9R,16S,19S)-19-tert-butyl-4-fluoro-22-[4-(hydroxymethyl)-1,3-oxazol-2-yl]-17-oxo-10,26-dioxa-8,18,21-triazahexacyclo[12.9.2.120,23.01,9.02,7.011,24]hexacosa-2,4,6,11(24),12,14(25),20,22-octaen-16-yl]-2,3,4,4,4-pentadeuterio-2-hydroxy-3-(trideuteriomethyl)butanamide

Unlabelled CAS Number

1403850-91-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat