PDB CCD ID: | 15U | ||||||||||||
Number of entries in BioLiP: | 4 | ||||||||||||
Chemical formula: | C23 H36 N6 O5 S | ||||||||||||
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-/m1/s1 | ||||||||||||
InChIKey: | KXNPVXPOPUZYGB-MXSMSXNCSA-N | ||||||||||||
SMILES: |
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Name: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid; S-argatroban | ||||||||||||
ChEMBL: | CHEMBL502016 | ||||||||||||
ZINC: | ZINC000003917722 |