EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:99638 - (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:99638
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
Stars
DownloadsMolfile
FormulaC29H35N3O4S
Net Charge0
Average Mass521.683
Monoisotopic Mass521.23483
SMILESCOc1cccc(-c2cccc(-c3nc(C(=O)N(C)C)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1
InChIInChI=1S/C29H35N3O4S/c1-29(2,3)37(35)32-18-22-17-24(28(34)31(4)5)30-27(26(22)25(32)13-14-33)21-11-7-9-19(15-21)20-10-8-12-23(16-20)36-6/h7-12,15-17,25,33H,13-14,18H2,1-6H3/t25-,37-/m0/s1
InChIKeyFLZDWOWASDTEHK-RSUXDYMJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99638) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-11017LINCS