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CHEBI:99923 - (3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:99923
ChEBI Name(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC29H34N2O5S
Net Charge0
Average Mass522.667
Monoisotopic Mass522.21884
SMILESCCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N(S(=O)C(C)(C)C)C2
InChIInChI=1S/C29H34N2O5S/c1-6-36-28(33)24-17-22-18-31(37(34)29(2,3)4)25(13-14-32)26(22)27(30-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)35-5/h7-12,15-17,25,32H,6,13-14,18H2,1-5H3/t25-,37?/m0/s1
InChIKeyDOYGEULPHZGEAI-OAWRCXNGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester (CHEBI:99923) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-11302LINCS