EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96253 - 3-(3-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea

ChEBI IDCHEBI:96253
ChEBI Name3-(3-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea
Stars
DownloadsMolfile
FormulaC23H33FN6O4
Net Charge0
Average Mass476.553
Monoisotopic Mass476.25473
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc(F)c2)OCc2cn(nn2)CCCC1=O
InChIInChI=1S/C23H33FN6O4/c1-16-11-30(17(2)14-31)22(32)8-5-9-29-12-20(26-27-29)15-34-21(16)13-28(3)23(33)25-19-7-4-6-18(24)10-19/h4,6-7,10,12,16-17,21,31H,5,8-9,11,13-15H2,1-3H3,(H,25,33)/t16-,17+,21+/m0/s1
InChIKeyVTXUSJLMEZRIOV-CSODHUTKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea (CHEBI:96253) is a azamacrocycle (CHEBI:52898)
3-(3-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methylurea (CHEBI:96253) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7632LINCS