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CHEBI:99876 - (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:99876
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC35H36N4O4S
Net Charge0
Average Mass608.764
Monoisotopic Mass608.24573
SMILESCOc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5cccc(C#N)c5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1
InChIInChI=1S/C35H36N4O4S/c1-35(2,3)44(42)39-22-28-19-30(34(41)37-21-24-9-6-13-29(17-24)43-4)38-33(32(28)31(39)14-15-40)27-12-7-11-26(18-27)25-10-5-8-23(16-25)20-36/h5-13,16-19,31,40H,14-15,21-22H2,1-4H3,(H,37,41)/t31-,44-/m0/s1
InChIKeyARPJWHDFQDPYLK-JCFUSDQVSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99876) is a biphenyls (CHEBI:22888)
(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99876) is a nitrile (CHEBI:18379)
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