CHEBI:102769 - (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:102769 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 C36H40N4O4S Net Charge 0 Average Mass 624.795 Monoisotopic Mass 624.27703 InChI InChI=1S/C36H40N4O4S/c1-36(2,3)45(44)40-23-29-21-30(34(42)37-22-24-10-7-6-8-11-24)38-33(32(29)31(40)18-19-41)28-13-9-12-27(20-28)25-14-16-26(17-15-25)35(43)39(4)5/h6-17,20-21,31,41H,18-19,22-23H2,1-5H3,(H,37,42)/t31-,45-/m1/s1 InChIKey WJAYFAVILWHXQO-OJFHYHFNSA-N SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)N(C)C)C(=O)NCC5=CC=CC=C5 ChEBI Ontology Outgoing (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-[4-[dimethylamino(oxo)methyl]phenyl]phenyl]-3-(2-hydroxyethyl)-N-(phenylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:102769) is a biphenyls (CHEBI:22888) Manual Xref Database LSM-14115 LINCS View more database links