2-[(2S,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:98121)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98121 - 2-[(2S,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide

Take structure to advanced search

ChEBI ID	CHEBI:98121
ChEBI Name	2-[(2S,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide
Stars
Downloads	Molfile

Formula	C25H30FN3O6S
Net Charge	0
Average Mass	519.595
Monoisotopic Mass	519.18393
SMILES	CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccccc3F)O[C@@H]1CO2
InChI	InChI=1S/C25H30FN3O6S/c1-3-36(32,33)28-17-8-11-22-19(12-17)25(31)29(2)21-10-9-18(35-23(21)15-34-22)13-24(30)27-14-16-6-4-5-7-20(16)26/h4-8,11-12,18,21,23,28H,3,9-10,13-15H2,1-2H3,(H,27,30)/t18-,21+,23+/m0/s1
InChIKey	MAZJZTZSELFTOO-QTGUNEKASA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(2S,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide (CHEBI:98121) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-9500	LINCS