EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96825 - (8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:96825
ChEBI Name(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
Stars
DownloadsMolfile
FormulaC24H34F3N5O3
Net Charge0
Average Mass497.562
Monoisotopic Mass497.26137
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H34F3N5O3/c1-17-12-31(18(2)15-33)23(34)5-4-10-32-21(11-28-29-32)16-35-22(17)14-30(3)13-19-6-8-20(9-7-19)24(25,26)27/h6-9,11,17-18,22,33H,4-5,10,12-16H2,1-3H3/t17-,18+,22-/m1/s1
InChIKeyDMKVVNQLOZTLAB-KGVIQGDOSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96825) is a azamacrocycle (CHEBI:52898)
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:96825) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8204LINCS