(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-(dimethylcarbamoyl)phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98334)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98334 - (3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-(dimethylcarbamoyl)phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

Take structure to advanced search

ChEBI ID	CHEBI:98334
ChEBI Name	(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-(dimethylcarbamoyl)phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
Stars
Downloads	Molfile

Formula	C33H40N4O4S
Net Charge	0
Average Mass	588.774
Monoisotopic Mass	588.27703
SMILES	CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1
InChI	InChI=1S/C33H40N4O4S/c1-33(2,3)42(41)37-20-25-19-27(31(39)34-26-10-7-11-26)35-30(29(25)28(37)16-17-38)24-9-6-8-23(18-24)21-12-14-22(15-13-21)32(40)36(4)5/h6,8-9,12-15,18-19,26,28,38H,7,10-11,16-17,20H2,1-5H3,(H,34,39)/t28-,42-/m1/s1
InChIKey	XRIKJANOQKUWJP-VOLSFDEHSA-N

ChEBI Ontology

Outgoing Relation(s)
	(3R)-2-[(R)-tert-butylsulfinyl]-N-cyclobutyl-4-[3-[4-(dimethylcarbamoyl)phenyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:98334) is a biphenyls (CHEBI:22888)

Manual Xrefs	Databases
LSM-9713	LINCS