Analyte Name

N-((2R,4R,5S)-5-(((1,1-Dimethylethoxy)carbonyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-L-phenylalaninamide-d5

Molecular Formula

C39 D5 H47 N4 O6

Molecular Weight

677.884

Accurate Mass

677.42

SMILES

[2H]c1c([2H])c([2H])c(C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Cc3ccccc3)C(=O)N)c([2H])c1[2H]

InChI

InChI=1S/C39H52N4O6/c1-26(2)21-33(37(47)41-32(35(40)45)24-29-19-13-8-14-20-29)42-36(46)30(22-27-15-9-6-10-16-27)25-34(44)31(23-28-17-11-7-12-18-28)43-38(48)49-39(3,4)5/h6-20,26,30-34,44H,21-25H2,1-5H3,(H2,40,45)(H,41,47)(H,42,46)(H,43,48)/t30-,31+,32+,33+,34-/m1/s1/i8D,13D,14D,19D,20D

IUPAC

tert-butyl N-[(2S,3R,5R)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate

Unlabelled CAS Number

292632-98-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat