EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124600 - 1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:124600
ChEBI Name1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea
Stars
DownloadsMolfile
FormulaC25H31F3N4O4
Net Charge0
Average Mass508.541
Monoisotopic Mass508.22974
SMILESCNC[C@@H]1Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C25H31F3N4O4/c1-15-13-32(16(2)14-33)23(34)11-17-10-20(8-9-21(17)36-22(15)12-29-3)31-24(35)30-19-6-4-18(5-7-19)25(26,27)28/h4-10,15-16,22,29,33H,11-14H2,1-3H3,(H2,30,31,35)/t15-,16-,22+/m1/s1
InChIKeyNMJAJKSBHFWFOJ-MCFFVMPBSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:124600) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-36042LINCS