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CHEBI:228623 - PharmaGSID_48506

ChEBI IDCHEBI:228623
ChEBI NamePharmaGSID_48506
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22ClN3O3S
Net Charge0
Average Mass407.923
Monoisotopic Mass407.10704
SMILESCS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-27(25,26)17-7-6-14(11-16(17)20)15(10-13-4-2-3-5-13)19(24)23-18-12-21-8-9-22-18/h6-9,11-13,15H,2-5,10H2,1H3,(H,22,23,24)/t15-/m1/s1
InChIKeyQULLOTSYPAOTIW-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
PharmaGSID_48506 (CHEBI:228623) is a acetamides (CHEBI:22160)
IUPAC Name 
(2R)-2-(3-chloro-4-methylsulonylphenyl)-3-cyclopentyl-N-pyrazin-2-ylpropanamide
Manual XrefsDatabases
28643869ChemSpider