EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96847 - N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96847
ChEBI NameN-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-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]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C23H35N5O6S/c1-17-12-28(18(2)15-29)23(30)6-5-11-27-13-19(24-25-27)16-34-22(17)14-26(3)35(31,32)21-9-7-20(33-4)8-10-21/h7-10,13,17-18,22,29H,5-6,11-12,14-16H2,1-4H3/t17-,18+,22+/m1/s1
InChIKeyAWVASGRLDZTAAI-FGSXEWAUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:96847) is a azamacrocycle (CHEBI:52898)
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide (CHEBI:96847) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-8226LINCS