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CHEBI:102735 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:102735
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC27H35N3O3S
Net Charge0
Average Mass481.662
Monoisotopic Mass481.23991
SMILESCCNC(=O)c1cc2c(c(-c3cccc(C4=CCCC4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChIInChI=1S/C27H35N3O3S/c1-5-28-26(32)22-16-21-17-30(34(33)27(2,3)4)23(13-14-31)24(21)25(29-22)20-12-8-11-19(15-20)18-9-6-7-10-18/h8-9,11-12,15-16,23,31H,5-7,10,13-14,17H2,1-4H3,(H,28,32)/t23-,34-/m0/s1
InChIKeyYCIQMCUMVSMOGA-HUBRWUETSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102735) is a phenylpyridine (CHEBI:38193)
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