EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129360 - (5S,8R)-8-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one

ChEBI IDCHEBI:129360
ChEBI Name(5S,8R)-8-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
Stars
DownloadsMolfile
FormulaC21H30N4O3
Net Charge0
Average Mass386.496
Monoisotopic Mass386.23179
SMILESCOc1ccc(C[C@H]2CCc3cnnn3COC[C@H](CC(C)C)NC2=O)cc1
InChIInChI=1S/C21H30N4O3/c1-15(2)10-18-13-28-14-25-19(12-22-24-25)7-6-17(21(26)23-18)11-16-4-8-20(27-3)9-5-16/h4-5,8-9,12,15,17-18H,6-7,10-11,13-14H2,1-3H3,(H,23,26)/t17-,18+/m1/s1
InChIKeyICBLCJRQBGPVQK-MSOLQXFVSA-N
ChEBI Ontology
Outgoing Relation(s)
(5S,8R)-8-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one (CHEBI:129360) is a methoxybenzenes (CHEBI:51683)
Manual XrefsDatabases
LSM-40911LINCS