Analyte Name

N-Nitro-1,2,3,4-tetradehydro Argatroban-d8

Molecular Formula

C23H23D8N7O7S

Molecular Weight

557.65

Accurate Mass

557.25

SMILES

O=C(N1[C@@H](C(O)=O)C[C@H](C)CC1)[C@H](CCCNC(N[N+]([O-])=O)=N)NS(C2=C([2H])C([2H])=C([2H])C3=C2N=C([2H])C(C([2H])([2H])[2H])=C3[2H])(=O)=O

InChI

InChI=1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14?,17-,18+/m0/s1/i2D3,3D,5D,7D,11D,13D

IUPAC

(2R,4R)-4-methyl-1-(N2-((3-(methyl-d3)quinolin-8-yl-2,4,5,6,7-d5)sulfonyl)-Nw-nitro-L-arginyl)piperidine-2-carboxylic acid

Unlabelled CAS Number

74874-10-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat