(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99585)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:99585 - (3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Take structure to advanced search

ChEBI ID	CHEBI:99585
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
Stars
Downloads	Molfile

Formula	C29H35N3O4S
Net Charge	0
Average Mass	521.683
Monoisotopic Mass	521.23483
SMILES	CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2
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-/m1/s1
InChIKey	YHQIULRSPQCSKT-TWEZTRHFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-N-ethyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:99585) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-10964	LINCS