CHEBI:100705 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:100705 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H34FN3O4S Net Charge 0 Average Mass 539.664 Monoisotopic Mass 539.22541 InChI InChI=1S/C29H34FN3O4S/c1-29(2,3)38(36)33-18-22-17-24(28(35)31-12-14-37-4)32-27(26(22)25(33)11-13-34)21-9-5-7-19(15-21)20-8-6-10-23(30)16-20/h5-10,15-17,25,34H,11-14,18H2,1-4H3,(H,31,35)/t25-,38-/m0/s1 InChIKey RYACMGXBLHGDBX-KUPGCWECSA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F)C(=O)NCCOC ChEBI Ontology Outgoing (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100705) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-12079 LINCS View more database links