(2R, 4S)-1-(2S)-Argatroban

Analyte Name

(2R, 4S)-1-(2S)-Argatroban

CAS Number

189264-04-8

Molecular Formula

C23 H36 N6 O5 S

Molecular Weight

508.634

Accurate Mass

508.247

SMILES

C[C@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3CC(C)CNc23

InChI

InChI=1S/C23H36N6O5S/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/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17-,18+/m0/s1

IUPAC

(2R,4S)-1-[(2S)-5-carbamimidamido-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat