EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112654 - 3-(2-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea

ChEBI IDCHEBI:112654
ChEBI Name3-(2-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-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)Nc2ccccc2F)OCc2cnnn2CCCC1=O
InChIInChI=1S/C23H33FN6O4/c1-16-12-29(17(2)14-31)22(32)9-6-10-30-18(11-25-27-30)15-34-21(16)13-28(3)23(33)26-20-8-5-4-7-19(20)24/h4-5,7-8,11,16-17,21,31H,6,9-10,12-15H2,1-3H3,(H,26,33)/t16-,17+,21+/m0/s1
InChIKeyHYXYHDZNHQRBPW-CSODHUTKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea (CHEBI:112654) is a azamacrocycle (CHEBI:52898)
3-(2-fluorophenyl)-1-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-1-methylurea (CHEBI:112654) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-24064LINCS