CHEBI:98841 - 4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile ChEBI ID CHEBI:98841 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 C32H36N4O3S Net Charge 0 Average Mass 556.721 Monoisotopic Mass 556.25081 InChI InChI=1S/C32H36N4O3S/c1-32(2,3)40(39)36-21-26-19-27(31(38)35-15-5-4-6-16-35)34-30(29(26)28(36)14-17-37)25-9-7-8-24(18-25)23-12-10-22(20-33)11-13-23/h7-13,18-19,28,37H,4-6,14-17,21H2,1-3H3/t28-,40-/m1/s1 InChIKey XBUYKONZLQYBJN-VAJZRNNVSA-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)N5CCCCC5 ChEBI Ontology Outgoing 4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:98841) is a biphenyls (CHEBI:22888) 4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile (CHEBI:98841) is a nitrile (CHEBI:18379) Manual Xref Database LSM-10220 LINCS View more database links