EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124185 - N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide

ChEBI IDCHEBI:124185
ChEBI NameN-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide
Stars
DownloadsMolfile
FormulaC29H36F3N3O6
Net Charge0
Average Mass579.616
Monoisotopic Mass579.25562
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C29H36F3N3O6/c1-18-13-35(19(2)16-36)28(38)12-21-11-22(33-27(37)8-9-29(30,31)32)5-7-23(21)41-26(18)15-34(3)14-20-4-6-24-25(10-20)40-17-39-24/h4-7,10-11,18-19,26,36H,8-9,12-17H2,1-3H3,(H,33,37)/t18-,19-,26+/m1/s1
InChIKeyWAPFRLYSPHNVCE-UDCNLSRBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4,4,4-trifluorobutanamide (CHEBI:124185) is a benzodioxoles (CHEBI:38298)
Manual XrefsDatabases
LSM-35627LINCS