EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124394 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide

ChEBI IDCHEBI:124394
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide
Stars
DownloadsMolfile
FormulaC23H32N4O5S
Net Charge0
Average Mass476.599
Monoisotopic Mass476.20934
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C23H32N4O5S/c1-16-12-27(17(2)15-28)23(29)20-11-19(25-33(4,30)31)5-6-21(20)32-22(16)14-26(3)13-18-7-9-24-10-8-18/h5-11,16-17,22,25,28H,12-15H2,1-4H3/t16-,17+,22+/m1/s1
InChIKeyOLZDAYFSXQRXFW-JLHGSKIFSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]methanesulfonamide (CHEBI:124394) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35836LINCS