EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96802 - 3-fluoro-N-[[(8R,9R)-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-methylbenzenesulfonamide

ChEBI IDCHEBI:96802
ChEBI Name3-fluoro-N-[[(8R,9R)-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-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC22H32FN5O5S
Net Charge0
Average Mass497.593
Monoisotopic Mass497.21082
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C22H32FN5O5S/c1-16-12-27(17(2)14-29)22(30)8-5-9-28-19(11-24-25-28)15-33-21(16)13-26(3)34(31,32)20-7-4-6-18(23)10-20/h4,6-7,10-11,16-17,21,29H,5,8-9,12-15H2,1-3H3/t16-,17+,21+/m1/s1
InChIKeyKYGBGAWZQIYPEA-WWMYMODYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-fluoro-N-[[(8R,9R)-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-methylbenzenesulfonamide (CHEBI:96802) is a azamacrocycle (CHEBI:52898)
3-fluoro-N-[[(8R,9R)-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-methylbenzenesulfonamide (CHEBI:96802) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8181LINCS