EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130710 - 1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea

ChEBI IDCHEBI:130710
ChEBI Name1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea
Stars
DownloadsMolfile
FormulaC35H37F3N4O4
Net Charge0
Average Mass634.699
Monoisotopic Mass634.27669
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3cccc4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C35H37F3N4O4/c1-22-18-42(23(2)21-43)33(44)29-17-27(39-34(45)40-30-10-6-8-25-7-4-5-9-28(25)30)15-16-31(29)46-32(22)20-41(3)19-24-11-13-26(14-12-24)35(36,37)38/h4-17,22-23,32,43H,18-21H2,1-3H3,(H2,39,40,45)/t22-,23-,32-/m1/s1
InChIKeyTXGYYWCQXDVHML-ULIDOWHDSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea (CHEBI:130710) is a naphthalenes (CHEBI:25477)
Manual XrefsDatabases
LSM-42259LINCS