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CHEBI:230673 - piragliatin
| Formula | C19H20ClN3O4S |
| Net Charge | 0 |
| Average Mass | 421.906 |
| Monoisotopic Mass | 421.08630 |
| SMILES | CS(=O)(=O)c1ccc([C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl |
| InChI | InChI=1S/C19H20ClN3O4S/c1-28(26,27)17-5-3-13(10-16(17)20)15(9-12-2-4-14(24)8-12)19(25)23-18-11-21-6-7-22-18/h3,5-7,10-12,15H,2,4,8-9H2,1H3,(H,22,23,25)/t12-,15+/m0/s1 |
| InChIKey | XEANIURBPHCHMG-SWLSCSKDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| piragliatin (CHEBI:230673) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| (2R)-2-(3-chloro-4-methylsulonylphenyl)-3-[(1R)-3-oxocyclopentyl]-N-pyrazin-2-ylpropanamide |