CHEBI:100475 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:100475 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 C33H33N5O3S Net Charge 0 Average Mass 579.714 Monoisotopic Mass 579.23041 InChI InChI=1S/C33H33N5O3S/c1-33(2,3)42(41)38-21-27-18-28(32(40)36-20-23-11-14-35-15-12-23)37-31(30(27)29(38)13-16-39)26-6-4-5-25(17-26)24-9-7-22(19-34)8-10-24/h4-12,14-15,17-18,29,39H,13,16,20-21H2,1-3H3,(H,36,40)/t29-,42-/m0/s1 InChIKey SIVBIYNXLDZPKJ-WHAQVLKXSA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)NCC5=CC=NC=C5 ChEBI Ontology Outgoing (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100475) is a biphenyls (CHEBI:22888) (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100475) is a nitrile (CHEBI:18379) Manual Xref Database LSM-11849 LINCS View more database links