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CHEBI:98852 - (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:98852
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC30H37N3O4S
Net Charge0
Average Mass535.710
Monoisotopic Mass535.25048
SMILESCCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2
InChIInChI=1S/C30H37N3O4S/c1-6-14-31-29(35)25-18-23-19-33(38(36)30(2,3)4)26(13-15-34)27(23)28(32-25)22-11-7-9-20(16-22)21-10-8-12-24(17-21)37-5/h7-12,16-18,26,34H,6,13-15,19H2,1-5H3,(H,31,35)/t26-,38-/m0/s1
InChIKeyJHQAUIJERWBYSS-WTMVGVENSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98852) is a biphenyls (CHEBI:22888)
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