CHEBI:103131 - (3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:103131
Stars This entity has been manually annotated by a third party.
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Formula C30H34FN3O3S
Net Charge 0
Average Mass 535.675
Monoisotopic Mass 535.23049
InChI InChI=1S/C30H34FN3O3S/c1-30(2,3)38(37)34-18-21-17-25(29(36)32-22-10-7-11-22)33-28(27(21)26(34)14-15-35)20-9-6-8-19(16-20)23-12-4-5-13-24(23)31/h4-6,8-9,12-13,16-17,22,26,35H,7,10-11,14-15,18H2,1-3H3,(H,32,36)/t26-,38-/m1/s1
InChIKey PZROTEJUFYWVHW-UOBPVEMNSA-N
SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=CC=C4F)C(=O)NC5CCC5
ChEBI Ontology
Outgoing (3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:103131) is a biphenyls (CHEBI:22888)
Manual Xref Database
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