2-[(2R,4aS,12aS)-8-[(3,4-difluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(4-propan-2-ylphenyl)acetamide (CHEBI:98165)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98165 - 2-[(2R,4aS,12aS)-8-[(3,4-difluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(4-propan-2-ylphenyl)acetamide

Take structure to advanced search

ChEBI ID	CHEBI:98165
ChEBI Name	2-[(2R,4aS,12aS)-8-[(3,4-difluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
Stars
Downloads	Molfile

Formula	C32H34F2N4O5
Net Charge	0
Average Mass	592.643
Monoisotopic Mass	592.24973
SMILES	CC(C)c1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)Nc5ccc(F)c(F)c5)cc4C(=O)N3C)O2)cc1
InChI	InChI=1S/C32H34F2N4O5/c1-18(2)19-4-6-20(7-5-19)35-30(39)16-23-10-12-27-29(43-23)17-42-28-13-9-21(14-24(28)31(40)38(27)3)36-32(41)37-22-8-11-25(33)26(34)15-22/h4-9,11,13-15,18,23,27,29H,10,12,16-17H2,1-3H3,(H,35,39)(H2,36,37,41)/t23-,27+,29-/m1/s1
InChIKey	SWJXLXSMFCPIRK-FNHKZSGOSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2R,4aS,12aS)-8-[(3,4-difluorophenyl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(4-propan-2-ylphenyl)acetamide (CHEBI:98165) is a ureas (CHEBI:47857)

Manual Xrefs	Databases
LSM-9544	LINCS