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CHEBI:101601 - (3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:101601
ChEBI Name(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
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DownloadsMolfile
FormulaC33H36N4O4S
Net Charge0
Average Mass584.742
Monoisotopic Mass584.24573
SMILESCOc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccncc5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1
InChIInChI=1S/C33H36N4O4S/c1-33(2,3)42(40)37-21-26-19-28(32(39)35-20-22-7-5-10-27(17-22)41-4)36-31(30(26)29(37)13-16-38)25-9-6-8-24(18-25)23-11-14-34-15-12-23/h5-12,14-15,17-19,29,38H,13,16,20-21H2,1-4H3,(H,35,39)/t29-,42-/m0/s1
InChIKeyGIUILNXHKTVBSA-WHAQVLKXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101601) is a phenylpyridine (CHEBI:38193)
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