N-[(2R,4aS,12aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide (CHEBI:131231)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131231 - N-[(2R,4aS,12aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide

Take structure to advanced search

ChEBI ID	CHEBI:131231
ChEBI Name	N-[(2R,4aS,12aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide
Stars
Downloads	Molfile

Formula	C26H30ClN3O5
Net Charge	0
Average Mass	499.995
Monoisotopic Mass	499.18740
SMILES	CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc(Cl)cc3)O[C@@H]1CO2
InChI	InChI=1S/C26H30ClN3O5/c1-15(2)25(32)29-18-8-11-22-20(12-18)26(33)30(3)21-10-9-19(35-23(21)14-34-22)13-24(31)28-17-6-4-16(27)5-7-17/h4-8,11-12,15,19,21,23H,9-10,13-14H2,1-3H3,(H,28,31)(H,29,32)/t19-,21+,23-/m1/s1
InChIKey	BJKJBDLJWILHTF-UNWVZKJWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,4aS,12aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide (CHEBI:131231) is a anilide (CHEBI:13248)

Manual Xrefs	Databases
LSM-14412	LINCS