EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128918 - 4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide

ChEBI IDCHEBI:128918
ChEBI Name4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide
Stars
DownloadsMolfile
FormulaC27H35F3N4O4
Net Charge0
Average Mass536.595
Monoisotopic Mass536.26104
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C27H35F3N4O4/c1-18-14-34(19(2)17-35)26(37)13-21-12-22(32-25(36)6-9-27(28,29)30)4-5-23(21)38-24(18)16-33(3)15-20-7-10-31-11-8-20/h4-5,7-8,10-12,18-19,24,35H,6,9,13-17H2,1-3H3,(H,32,36)/t18-,19-,24+/m1/s1
InChIKeySGONDPMGILSHIM-IECBHUPTSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide (CHEBI:128918) is a aromatic amide (CHEBI:62733)
Manual XrefsDatabases
LSM-40470LINCS