EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:101656 - (3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

ChEBI IDCHEBI:101656
ChEBI Name(3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
Stars
DownloadsMolfile
FormulaC26H34N4O6
Net Charge0
Average Mass498.580
Monoisotopic Mass498.24783
SMILESCc1noc(C)c1NC(=O)N1C[C@@H](O)COC[C@@H]2O[C@@H](CC(=O)N3CCc4ccccc4C3)CC[C@H]21
InChIInChI=1S/C26H34N4O6/c1-16-25(17(2)36-28-16)27-26(33)30-13-20(31)14-34-15-23-22(30)8-7-21(35-23)11-24(32)29-10-9-18-5-3-4-6-19(18)12-29/h3-6,20-23,31H,7-15H2,1-2H3,(H,27,33)/t20-,21-,22-,23+/m1/s1
InChIKeySVQJPVUULHSFBY-ODAXIHTASA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,6aR,8R,10aR)-8-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(3,5-dimethyl-4-isoxazolyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:101656) is a isoquinolines (CHEBI:24922)
Manual XrefsDatabases
LSM-13019LINCS