N-(2-Pyrazinylcarbonyl)-L-phenylalanyl-N-[(1R)-1-borono-3-hydroxy-3-methylbutyl]-L-phenylalaninamide-d6

Analyte Name

N-(2-Pyrazinylcarbonyl)-L-phenylalanyl-N-[(1R)-1-borono-3-hydroxy-3-methylbutyl]-L-phenylalaninamide-d6

Molecular Formula

C28 D6 H28 B N5 O6

Molecular Weight

553.447

Accurate Mass

553.298

SMILES

[2H]C([2H])([2H])C(O)(C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3cnccn3)B(O)O)C([2H])([2H])[2H]

InChI

InChI=1S/C28H34BN5O6/c1-28(2,38)17-24(29(39)40)34-26(36)22(16-20-11-7-4-8-12-20)32-25(35)21(15-19-9-5-3-6-10-19)33-27(37)23-18-30-13-14-31-23/h3-14,18,21-22,24,38-40H,15-17H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t21-,22+,24+/m1/s1/i1D3,2D3

IUPAC

[(1R)-4,4,4-trideuterio-3-hydroxy-1-[[(2S)-3-phenyl-2-[[(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]propanoyl]amino]-3-(trideuteriomethyl)butyl]boronic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat