Analyte Name

(2S)-N-((2S)-3-(2-amino-1,3-thiazol-4-yl)-1-(((2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)amino)-1-oxopropan-2-yl)-2-((2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)sulfonylamino)-3-phenylpropanamide

Molecular Formula

C33H44D8N6O7S2

Molecular Weight

716.98

Accurate Mass

716.38

SMILES

O=C(N[C@H]([C@H]([C@@H](O)CC(C)C)O)CC1CCCCC1)[C@H](CC2=CSC(N)=N2)NC([C@@H](NS(N3C([2H])([2H])C([2H])([2H])OC([2H])([2H])C3([2H])[2H])(=O)=O)CC4=CC=CC=C4)=O

InChI

InChI=1S/C33H52N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h4,7-8,11-12,21-23,26-30,38,40-41H,3,5-6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t26-,27-,28-,29-,30+/m0/s1/i13D2,14D2,15D2,16D2

IUPAC

(S)-3-(2-aminothiazol-4-yl)-N-((2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl)-2-((S)-2-((morpholine)-4-sulfonamido-2,2,3,3,5,5,6,6-d8)-3-phenylpropanamido)propanamide

Unlabelled CAS Number

135704-06-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat