Analyte Name

1,2,3,4-Tetrahydro Argatroban-d8

Molecular Formula

C23H24D8N6O5S

Molecular Weight

512.65

Accurate Mass

512.27

SMILES

O=C([C@@H](NS(C1=C(C([2H])=C(C2=C1N=C(C(C([2H])([2H])[2H])=C2[2H])[2H])[2H])[2H])(=O)=O)CCCNC(N)=N)N3[C@H](C[C@@H](CC3)C)C(O)=O

InChI

InChI=1S/C23H32N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,17+,18-/m1/s1/i2D3,3D,5D,7D,11D,13D

IUPAC

(2R,4R)-4-methyl-1-(((3-(methyl-d3)quinolin-8-yl-2,4,5,6,7-d5)sulfonyl)-L-arginyl)piperidine-2-carboxylic acid

Unlabelled CAS Number

951130-92-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat