EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112470 - 4,4,4-trifluoro-N-[[(8S,9S)-6-[(2S)-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]-N-methylbutanamide

ChEBI IDCHEBI:112470
ChEBI Name4,4,4-trifluoro-N-[[(8S,9S)-6-[(2S)-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]-N-methylbutanamide
Stars
DownloadsMolfile
FormulaC20H32F3N5O4
Net Charge0
Average Mass463.501
Monoisotopic Mass463.24064
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C20H32F3N5O4/c1-14-10-27(15(2)12-29)19(31)5-4-8-28-16(9-24-25-28)13-32-17(14)11-26(3)18(30)6-7-20(21,22)23/h9,14-15,17,29H,4-8,10-13H2,1-3H3/t14-,15-,17+/m0/s1
InChIKeySUQCROIYCBRRRP-YQQAZPJKSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4,4-trifluoro-N-[[(8S,9S)-6-[(2S)-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]-N-methylbutanamide (CHEBI:112470) is a azamacrocycle (CHEBI:52898)
4,4,4-trifluoro-N-[[(8S,9S)-6-[(2S)-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]-N-methylbutanamide (CHEBI:112470) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-23882LINCS