CHEBI:102031 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:102031 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 C33H39N5O3S Net Charge 0 Average Mass 585.762 Monoisotopic Mass 585.27736 InChI InChI=1S/C33H39N5O3S/c1-33(2,3)42(41)38-22-27-20-28(32(40)35-13-16-37-14-4-5-15-37)36-31(30(27)29(38)12-17-39)26-11-7-10-25(19-26)24-9-6-8-23(18-24)21-34/h6-11,18-20,29,39H,4-5,12-17,22H2,1-3H3,(H,35,40)/t29-,42-/m1/s1 InChIKey RNFNRXMTASYMQO-LIIBOVGXSA-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)NCCN5CCCC5 ChEBI Ontology Outgoing (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102031) is a biphenyls (CHEBI:22888) (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-pyrrolidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102031) is a nitrile (CHEBI:18379) Manual Xref Database LSM-13391 LINCS View more database links