EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96308 - N-[[(8R,9S)-6-[(2R)-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]-N-methylbenzenesulfonamide

ChEBI IDCHEBI:96308
ChEBI NameN-[[(8R,9S)-6-[(2R)-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]-N-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC22H33N5O5S
Net Charge0
Average Mass479.603
Monoisotopic Mass479.22024
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H33N5O5S/c1-17-12-27(18(2)15-28)22(29)10-7-11-26-13-19(23-24-26)16-32-21(17)14-25(3)33(30,31)20-8-5-4-6-9-20/h4-6,8-9,13,17-18,21,28H,7,10-12,14-16H2,1-3H3/t17-,18-,21-/m1/s1
InChIKeyBDEMCWTZQNVVEU-DBXWQHBBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(8R,9S)-6-[(2R)-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]-N-methylbenzenesulfonamide (CHEBI:96308) is a azamacrocycle (CHEBI:52898)
N-[[(8R,9S)-6-[(2R)-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]-N-methylbenzenesulfonamide (CHEBI:96308) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7687LINCS