EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112503 - (8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

ChEBI IDCHEBI:112503
ChEBI Name(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one
Stars
DownloadsMolfile
FormulaC24H37N5O4
Net Charge0
Average Mass459.591
Monoisotopic Mass459.28455
SMILESCOc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C24H37N5O4/c1-18-13-28(19(2)16-30)24(31)10-7-11-29-21(12-25-26-29)17-33-23(18)15-27(3)14-20-8-5-6-9-22(20)32-4/h5-6,8-9,12,18-19,23,30H,7,10-11,13-17H2,1-4H3/t18-,19-,23+/m0/s1
InChIKeyQHTRHHVBBSPOHC-SFYKDHMMSA-N
ChEBI Ontology
Outgoing Relation(s)
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112503) is a azamacrocycle (CHEBI:52898)
(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one (CHEBI:112503) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-23915LINCS