N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide (CHEBI:111769)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111769 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:111769
ChEBI Name	N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide
Stars
Downloads	Molfile

Formula	C31H36FN3O7S
Net Charge	0
Average Mass	613.708
Monoisotopic Mass	613.22580
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C31H36FN3O7S/c1-20-15-35(21(2)18-36)31(37)14-23-13-25(33-43(38,39)26-8-5-24(32)6-9-26)7-11-27(23)42-30(20)17-34(3)16-22-4-10-28-29(12-22)41-19-40-28/h4-13,20-21,30,33,36H,14-19H2,1-3H3/t20-,21+,30+/m1/s1
InChIKey	ZVLYFKSMWJQSMB-QPPRZBLKSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-fluorobenzenesulfonamide (CHEBI:111769) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-23182	LINCS