CHEBI:100169 - [(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

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ChEBI Name [(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone ChEBI ID CHEBI:100169 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C34H36N4O3S Net Charge 0 Average Mass 580.742 Monoisotopic Mass 580.25081 InChI InChI=1S/C34H36N4O3S/c1-34(2,3)42(41)38-22-28-19-29(33(40)37-16-13-23-8-4-5-9-27(23)21-37)36-32(31(28)30(38)14-17-39)25-11-6-10-24(18-25)26-12-7-15-35-20-26/h4-12,15,18-20,30,39H,13-14,16-17,21-22H2,1-3H3/t30-,42-/m0/s1 InChIKey MWNPJFSJRUIJTE-MIKJVJEASA-N SMILES CC(C)(C)[S@](=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC=CC(=C3)C4=CN=CC=C4)C(=O)N5CCC6=CC=CC=C6C5 ChEBI Ontology Outgoing [(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CHEBI:100169) is a phenylpyridine (CHEBI:38193) Manual Xref Database LSM-11546 LINCS View more database links