Analyte Name

(3S,7R,8aR)-2-((2S)-2-(4,4-difluorocyclohexyl)-2-(((2S)-2-(trideuteriomethylamino)propanoyl)amino)acetyl)-N-((4R)-3,4-dihydro-2H-chromen-4-yl)-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo(1,2-a)pyrazine-3-carboxamide

Molecular Formula

C31 D3 H42 F2 N5 O5

Molecular Weight

608.735

Accurate Mass

608.358

SMILES

[2H]C([2H])([2H])N[C@@H](C)C(=O)N[C@@H](C1CCC(F)(F)CC1)C(=O)N2C[C@H]3C[C@H](CN3C[C@H]2C(=O)N[C@@H]4CCOc5ccccc45)OCC

InChI

InChI=1S/C31H45F2N5O5/c1-4-42-22-15-21-16-38(30(41)27(36-28(39)19(2)34-3)20-9-12-31(32,33)13-10-20)25(18-37(21)17-22)29(40)35-24-11-14-43-26-8-6-5-7-23(24)26/h5-8,19-22,24-25,27,34H,4,9-18H2,1-3H3,(H,35,40)(H,36,39)/t19-,21+,22+,24+,25-,27-/m0/s1/i3D3

IUPAC

(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2S)-2-(trideuteriomethylamino)propanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide

Unlabelled CAS Number

1266227-69-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat