EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:110528 - 4-fluoro-N-[[(8R,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-methylbenzenesulfonamide

ChEBI IDCHEBI:110528
ChEBI Name4-fluoro-N-[[(8R,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-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)c1ccc(F)cc1
InChIInChI=1S/C22H32FN5O5S/c1-16-12-27(17(2)14-29)22(30)5-4-10-28-19(11-24-25-28)15-33-21(16)13-26(3)34(31,32)20-8-6-18(23)7-9-20/h6-9,11,16-17,21,29H,4-5,10,12-15H2,1-3H3/t16-,17+,21-/m1/s1
InChIKeyOOPGLCWBUZVAMU-LLGFUMIMSA-N
ChEBI Ontology
Outgoing Relation(s)
4-fluoro-N-[[(8R,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-methylbenzenesulfonamide (CHEBI:110528) is a azamacrocycle (CHEBI:52898)
4-fluoro-N-[[(8R,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-methylbenzenesulfonamide (CHEBI:110528) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-21975LINCS