EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124129 - N-[(2S,3R)-5-[(2S)-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]-4-pyridinecarboxamide

ChEBI IDCHEBI:124129
ChEBI NameN-[(2S,3R)-5-[(2S)-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]-4-pyridinecarboxamide
Stars
DownloadsMolfile
FormulaC30H33F3N4O4
Net Charge0
Average Mass570.612
Monoisotopic Mass570.24539
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C30H33F3N4O4/c1-19-15-37(20(2)18-38)29(40)25-14-24(35-28(39)22-10-12-34-13-11-22)8-9-26(25)41-27(19)17-36(3)16-21-4-6-23(7-5-21)30(31,32)33/h4-14,19-20,27,38H,15-18H2,1-3H3,(H,35,39)/t19-,20+,27-/m1/s1
InChIKeyOAUQJKHBLAZZLB-IOKPGSKQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-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]-4-pyridinecarboxamide (CHEBI:124129) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual XrefsDatabases
LSM-35571LINCS