EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111698 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide

ChEBI IDCHEBI:111698
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide
Stars
DownloadsMolfile
FormulaC20H29N5O5S
Net Charge0
Average Mass451.549
Monoisotopic Mass451.18894
SMILESCNC[C@H]1Oc2c(NS(=O)(=O)c3cn(C)cn3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C20H29N5O5S/c1-13-9-25(14(2)11-26)20(27)15-6-5-7-16(19(15)30-17(13)8-21-3)23-31(28,29)18-10-24(4)12-22-18/h5-7,10,12-14,17,21,23,26H,8-9,11H2,1-4H3/t13-,14-,17-/m1/s1
InChIKeyKOTZITAVGRXIOH-CKEIUWERSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:111698) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-23112LINCS