EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124626 - N-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methoxybenzenesulfonamide

ChEBI IDCHEBI:124626
ChEBI NameN-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methoxybenzenesulfonamide
Stars
DownloadsMolfile
FormulaC24H33N3O6S
Net Charge0
Average Mass491.610
Monoisotopic Mass491.20901
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O3)cc1
InChIInChI=1S/C24H33N3O6S/c1-16-13-27(17(2)15-28)24(29)21-12-18(6-11-22(21)33-23(16)14-26(3)4)25-34(30,31)20-9-7-19(32-5)8-10-20/h6-12,16-17,23,25,28H,13-15H2,1-5H3/t16-,17+,23+/m1/s1
InChIKeyIFPHIOSYEQPMRT-DGGJZMOXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methoxybenzenesulfonamide (CHEBI:124626) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-36068LINCS