CHEBI:101151 - (3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

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ChEBI Name (3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
ChEBI ID CHEBI:101151
Stars This entity has been manually annotated by a third party.
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Formula C29H35N3O4S
Net Charge 0
Average Mass 521.673
Monoisotopic Mass 521.23483
InChI InChI=1S/C29H35N3O4S/c1-6-30-28(34)24-17-22-18-32(37(35)29(2,3)4)25(13-14-33)26(22)27(31-24)21-11-7-9-19(15-21)20-10-8-12-23(16-20)36-5/h7-12,15-17,25,33H,6,13-14,18H2,1-5H3,(H,30,34)/t25-,37-/m0/s1
InChIKey YHQIULRSPQCSKT-RSUXDYMJSA-N
SMILES CCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)OC
ChEBI Ontology
Outgoing (3S)-2-[(S)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:101151) is a biphenyls (CHEBI:22888)
Manual Xref Database
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