CHEBI:98320 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:98320 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 C35H36N4O4S Net Charge 0 Average Mass 608.752 Monoisotopic Mass 608.24573 InChI InChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-23-11-13-29(43-4)14-12-23)38-33(32(28)31(39)15-16-40)27-10-6-9-26(18-27)25-8-5-7-24(17-25)20-36/h5-14,17-19,31,40H,15-16,21-22H2,1-4H3,(H,37,41)/t31-,44-/m0/s1 InChIKey NEVKZQRLDPRUMB-JCFUSDQVSA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N)C(=O)NCC5=CC=C(C=C5)OC ChEBI Ontology Outgoing (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98320) is a biphenyls (CHEBI:22888) (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98320) is a nitrile (CHEBI:18379) Manual Xref Database LSM-9699 LINCS View more database links