EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130596 - 1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:130596
ChEBI Name1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea
Stars
DownloadsMolfile
FormulaC31H43FN4O4
Net Charge0
Average Mass554.707
Monoisotopic Mass554.32683
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)CC1CCCCC1
InChIInChI=1S/C31H43FN4O4/c1-21-17-36(22(2)20-37)30(38)16-24-15-27(34-31(39)33-26-11-9-25(32)10-12-26)13-14-28(24)40-29(21)19-35(3)18-23-7-5-4-6-8-23/h9-15,21-23,29,37H,4-8,16-20H2,1-3H3,(H2,33,34,39)/t21-,22-,29-/m0/s1
InChIKeyVLABVJXETLVVIO-SYZUXVNWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea (CHEBI:130596) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-42145LINCS