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CHEBI:101264 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101264
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC27H35N3O3S
Net Charge0
Average Mass481.662
Monoisotopic Mass481.23991
SMILESCN(C)C(=O)c1cc2c(c(-c3cccc(C4=CCCC4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChIInChI=1S/C27H35N3O3S/c1-27(2,3)34(33)30-17-21-16-22(26(32)29(4)5)28-25(24(21)23(30)13-14-31)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,6-7,10,13-14,17H2,1-5H3/t23-,34-/m0/s1
InChIKeyPGDAOJJPUPXGSS-HUBRWUETSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101264) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-12631LINCS