EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:96117 - (8R,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

ChEBI IDCHEBI:96117
ChEBI Name(8R,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one
Stars
DownloadsMolfile
FormulaC23H33Cl2N5O3
Net Charge0
Average Mass498.455
Monoisotopic Mass497.19605
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H33Cl2N5O3/c1-16-10-30(17(2)14-31)23(32)5-4-8-29-12-19(26-27-29)15-33-22(16)13-28(3)11-18-6-7-20(24)21(25)9-18/h6-7,9,12,16-17,22,31H,4-5,8,10-11,13-15H2,1-3H3/t16-,17-,22-/m1/s1
InChIKeyATJIIPBEGAKQFE-DRSNIGMVSA-N
ChEBI Ontology
Outgoing Relation(s)
(8R,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96117) is a azamacrocycle (CHEBI:52898)
(8R,9S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one (CHEBI:96117) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-7496LINCS