EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96976 - N-[[(8R,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]-4-methoxy-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96976
ChEBI NameN-[[(8R,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]-4-methoxy-N-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC23H35N5O6S
Net Charge0
Average Mass509.629
Monoisotopic Mass509.23080
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C23H35N5O6S/c1-17-13-27(18(2)15-29)23(30)6-5-11-28-19(12-24-25-28)16-34-22(17)14-26(3)35(31,32)21-9-7-20(33-4)8-10-21/h7-10,12,17-18,22,29H,5-6,11,13-16H2,1-4H3/t17-,18-,22-/m1/s1
InChIKeyQVFRXOMYJDWMPT-JBYIUTFZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8R,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]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:96976) is a azamacrocycle (CHEBI:52898)
N-[[(8R,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]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:96976) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8355LINCS