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CHEBI:48720 - argatroban
| Formula | C21H27N5 |
| Net Charge | 0 |
| Average Mass | 349.482 |
| Monoisotopic Mass | 349.22665 |
| SMILES | NCCCCN(Cc1nc2ccccc2n1)[C@H]1CCCc2cccnc21 |
| InChI | InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1 |
| InChIKey | WVLHHLRVNDMIAR-IBGZPJMESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| argatroban (CHEBI:48720) is a guanidines (CHEBI:24436) |
| argatroban (CHEBI:48720) is a piperidinemonocarboxylic acid (CHEBI:26148) |
| argatroban (CHEBI:48720) is a quinolines (CHEBI:26513) |
| argatroban (CHEBI:48720) is a secondary amino compound (CHEBI:50995) |
| argatroban (CHEBI:48720) is a sulfonamide (CHEBI:35358) |
| argatroban (CHEBI:48720) is a α-N-substituted L-arginine (CHEBI:22440) |
| Synonyms | Source |
|---|---|
| Argatroban | KEGG COMPOUND |
| (2R,4R)-4-methyl-1-(alpha-N-{[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonyl]-L-arginyl})piperidine-2-carboxylic acid | ChEBI |
| ARGATROBAN | PDBeChem |
| (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid | PDBeChem |
| (2R,4R)-4-Methyl-1[Nalpha-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-arginyl)]-2-piperadinecarboxylic acid | KEGG COMPOUND |