EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124911 - 4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

ChEBI IDCHEBI:124911
ChEBI Name4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
Stars
DownloadsMolfile
FormulaC29H37F3N4O6
Net Charge0
Average Mass594.631
Monoisotopic Mass594.26652
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)CCC(F)(F)F)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C29H37F3N4O6/c1-18-15-36(19(2)17-37)27(39)14-20-13-22(33-26(38)11-12-29(30,31)32)7-10-24(20)42-25(18)16-35(3)28(40)34-21-5-8-23(41-4)9-6-21/h5-10,13,18-19,25,37H,11-12,14-17H2,1-4H3,(H,33,38)(H,34,40)/t18-,19-,25-/m0/s1
InChIKeyVEHMDLCOBQDSJJ-MHPIHPPYSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:124911) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-36353LINCS