EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96898 - (8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96898
ChEBI Name(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
Stars
DownloadsMolfile
FormulaC24H37N5O3
Net Charge0
Average Mass443.592
Monoisotopic Mass443.28964
SMILESCc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C24H37N5O3/c1-18-7-9-21(10-8-18)13-27(4)15-23-19(2)12-29(20(3)16-30)24(31)6-5-11-28-14-22(17-32-23)25-26-28/h7-10,14,19-20,23,30H,5-6,11-13,15-17H2,1-4H3/t19-,20+,23+/m1/s1
InChIKeyXSAFYGBYABXFOO-QTEQDKRBSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96898) is a azamacrocycle (CHEBI:52898)
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96898) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8277LINCS