EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111551 - 3-cyclohexyl-1-[[(2R,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

ChEBI IDCHEBI:111551
ChEBI Name3-cyclohexyl-1-[[(2R,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
Stars
DownloadsMolfile
FormulaC29H39FN4O6S
Net Charge0
Average Mass590.718
Monoisotopic Mass590.25743
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@H]1CN(C)C(=O)NC1CCCCC1
InChIInChI=1S/C29H39FN4O6S/c1-19-16-34(20(2)18-35)28(36)25-15-23(32-41(38,39)24-12-9-21(30)10-13-24)11-14-26(25)40-27(19)17-33(3)29(37)31-22-7-5-4-6-8-22/h9-15,19-20,22,27,32,35H,4-8,16-18H2,1-3H3,(H,31,37)/t19-,20-,27-/m0/s1
InChIKeyGFSCIXLFWMXIKM-OSOCVKALSA-N
ChEBI Ontology
Outgoing Relation(s)
3-cyclohexyl-1-[[(2R,3S)-8-[(4-fluorophenyl)sulfonylamino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:111551) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-22965LINCS