EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:125223 - 3-[(3aS,10bS)-2-[4-(3-hydroxypropoxy)phenyl]-4-oxo-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-3a-yl]propanoic acid tert-butyl ester

ChEBI IDCHEBI:125223
ChEBI Name3-[(3aS,10bS)-2-[4-(3-hydroxypropoxy)phenyl]-4-oxo-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-3a-yl]propanoic acid tert-butyl ester
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC30H36N2O6
Net Charge0
Average Mass520.626
Monoisotopic Mass520.25734
SMILESC=CCN1Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]2(CCC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C30H36N2O6/c1-5-17-32-20-22-9-6-7-10-24(22)26-30(28(32)35,16-15-25(34)38-29(2,3)4)31-27(37-26)21-11-13-23(14-12-21)36-19-8-18-33/h5-7,9-14,26,33H,1,8,15-20H2,2-4H3/t26-,30-/m0/s1
InChIKeyGVCORLQDBGAANB-YZNIXAGQSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(3aS,10bS)-2-[4-(3-hydroxypropoxy)phenyl]-4-oxo-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-3a-yl]propanoic acid tert-butyl ester (CHEBI:125223) is a tert-butyl ester (CHEBI:140402)
3-[(3aS,10bS)-2-[4-(3-hydroxypropoxy)phenyl]-4-oxo-5-prop-2-enyl-6,10b-dihydrooxazolo[4,5-d][2]benzazepin-3a-yl]propanoic acid tert-butyl ester (CHEBI:125223) is a benzazepine (CHEBI:35676)
Manual XrefsDatabases
LSM-36691LINCS