N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide (CHEBI:96413)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96413 - N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:96413
ChEBI Name	N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide
Stars
Downloads	Molfile

Formula	C22H28BrN3O6S
Net Charge	0
Average Mass	542.452
Monoisotopic Mass	541.08822
SMILES	COc1ccccc1S(=O)(=O)N(C)C[C@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@H]1C
InChI	InChI=1S/C22H28BrN3O6S/c1-14-11-26(15(2)13-27)22(28)17-9-16(23)10-24-21(17)32-19(14)12-25(3)33(29,30)20-8-6-5-7-18(20)31-4/h5-10,14-15,19,27H,11-13H2,1-4H3/t14-,15-,19-/m1/s1
InChIKey	LJNOUGNZSXLUFQ-SPYBWZPUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylbenzenesulfonamide (CHEBI:96413) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-7792	LINCS