Analyte Name

tert-butyl ((2S,3R)-4-((4-acetamido-N-(2-(methyl-d3)propyl-1,1,2,3,3,3-d6)phenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

CAS Number

1254048-06-0

Molecular Formula

C27 D9 H30 N3 O6 S

Molecular Weight

542.736

Accurate Mass

542.312

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(NC(=O)C)cc2

InChI

InChI=1S/C27H39N3O6S/c1-19(2)17-30(37(34,35)23-14-12-22(13-15-23)28-20(3)31)18-25(32)24(16-21-10-8-7-9-11-21)29-26(33)36-27(4,5)6/h7-15,19,24-25,32H,16-18H2,1-6H3,(H,28,31)(H,29,33)/t24-,25+/m0/s1/i1D3,2D3,17D2,19D

IUPAC

tert-butyl N-[(2S,3R)-4-[(4-acetamidophenyl)sulfonyl-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat