CHEBI:100434 - (3R)-2-[(R)-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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ChEBI Name (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:100434
Stars This entity has been manually annotated by a third party.
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Formula C27H35N3O3S
Net Charge 0
Average Mass 481.652
Monoisotopic Mass 481.23991
InChI InChI=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-/m1/s1
InChIKey PGDAOJJPUPXGSS-GRMGDBHTSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)N(C)C
ChEBI Ontology
Outgoing (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(1-cyclopentenyl)phenyl]-3-(2-hydroxyethyl)-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100434) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-11809 LINCS
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