EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:113593 - 4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

ChEBI IDCHEBI:113593
ChEBI Name4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
Stars
DownloadsMolfile
FormulaC28H35F3N4O6
Net Charge0
Average Mass580.604
Monoisotopic Mass580.25087
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)CCC(F)(F)F)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C28H35F3N4O6/c1-17-14-35(18(2)16-36)26(38)22-13-20(32-25(37)11-12-28(29,30)31)7-10-23(22)41-24(17)15-34(3)27(39)33-19-5-8-21(40-4)9-6-19/h5-10,13,17-18,24,36H,11-12,14-16H2,1-4H3,(H,32,37)(H,33,39)/t17-,18-,24-/m0/s1
InChIKeyRKPQTFDXIVHBLJ-XFAGBWLFSA-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-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide (CHEBI:113593) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-25025LINCS