EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98064 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:98064
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
Stars
DownloadsMolfile
FormulaC31H38N4O4S
Net Charge0
Average Mass562.736
Monoisotopic Mass562.26138
SMILESCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(C(=O)N(C)C)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChIInChI=1S/C31H38N4O4S/c1-7-32-29(37)25-18-24-19-35(40(39)31(2,3)4)26(14-15-36)27(24)28(33-25)22-12-8-10-20(16-22)21-11-9-13-23(17-21)30(38)34(5)6/h8-13,16-18,26,36H,7,14-15,19H2,1-6H3,(H,32,37)/t26-,40-/m0/s1
InChIKeyTYBSUWGSJMEJTO-YKPJRVAWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-N-ethyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98064) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-9443LINCS