CHEBI:100939 - (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide ChEBI ID CHEBI:100939 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 C33H34N4O5S Net Charge 0 Average Mass 598.714 Monoisotopic Mass 598.22499 InChI InChI=1S/C33H34N4O5S/c1-33(2,3)43(40)37-19-25-17-26(32(39)35-18-21-7-8-28-29(15-21)42-20-41-28)36-31(30(25)27(37)11-14-38)24-6-4-5-23(16-24)22-9-12-34-13-10-22/h4-10,12-13,15-17,27,38H,11,14,18-20H2,1-3H3,(H,35,39)/t27-,43-/m1/s1 InChIKey OLAATLBQFXJPIK-ACXULAKISA-N SMILES CC(C)(C)[S@@](=O)N1CC2=CC(=NC(=C2[C@H]1CCO)C3=CC=CC(=C3)C4=CC=NC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6 ChEBI Ontology Outgoing (3R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:100939) is a phenylpyridine (CHEBI:38193) Manual Xref Database LSM-12312 LINCS View more database links