EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130447 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:130447
ChEBI NameN-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
Stars
DownloadsMolfile
FormulaC32H42F3N3O4
Net Charge0
Average Mass589.699
Monoisotopic Mass589.31274
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O
InChIInChI=1S/C32H42F3N3O4/c1-21-17-38(22(2)20-39)30(40)16-25-15-27(36-31(41)24-7-5-4-6-8-24)13-14-28(25)42-29(21)19-37(3)18-23-9-11-26(12-10-23)32(33,34)35/h9-15,21-22,24,29,39H,4-8,16-20H2,1-3H3,(H,36,41)/t21-,22+,29+/m0/s1
InChIKeyAUKBORHYFMVOGK-DKGMKSHISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:130447) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual XrefsDatabases
LSM-41996LINCS