EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124283 - N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide

ChEBI IDCHEBI:124283
ChEBI NameN-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide
Stars
DownloadsMolfile
FormulaC20H29N5O5S
Net Charge0
Average Mass451.549
Monoisotopic Mass451.18894
SMILESCNC[C@@H]1Oc2ccc(NS(=O)(=O)c3cn(C)cn3)cc2C(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C20H29N5O5S/c1-13-9-25(14(2)11-26)20(27)16-7-15(5-6-17(16)30-18(13)8-21-3)23-31(28,29)19-10-24(4)12-22-19/h5-7,10,12-14,18,21,23,26H,8-9,11H2,1-4H3/t13-,14-,18+/m1/s1
InChIKeyGRHNBKJIURRPED-LBTNJELSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:124283) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35725LINCS