EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129449 - 1-[[(2S,3R)-8-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea

ChEBI IDCHEBI:129449
ChEBI Name1-[[(2S,3R)-8-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea
Stars
DownloadsMolfile
FormulaC29H33FN4O6S
Net Charge0
Average Mass584.670
Monoisotopic Mass584.21048
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C29H33FN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-41(38,39)24-7-5-4-6-8-24)13-14-26(25)40-27(19)17-33(3)29(37)31-22-11-9-21(30)10-12-22/h4-15,19-20,27,32,35H,16-18H2,1-3H3,(H,31,37)/t19-,20-,27-/m1/s1
InChIKeyJVHWMDYUDFIPKY-SEXOINJZSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3R)-8-(benzenesulfonamido)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-3-(4-fluorophenyl)-1-methylurea (CHEBI:129449) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-41000LINCS