EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:111332 - N-[(2S)-3-(1H-indol-3-yl)-1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-1-oxopropan-2-yl]carbamic acid 2-methylpropyl ester

ChEBI IDCHEBI:111332
ChEBI NameN-[(2S)-3-(1H-indol-3-yl)-1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-1-oxopropan-2-yl]carbamic acid 2-methylpropyl ester
Stars
DownloadsMolfile
FormulaC24H27N5O7
Net Charge0
Average Mass497.508
Monoisotopic Mass497.19105
SMILESCOC1=CC(=CNNC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)OCC(C)C)C=C([N+](=O)[O-])C1=O
InChIInChI=1S/C24H27N5O7/c1-14(2)13-36-24(32)27-19(10-16-12-25-18-7-5-4-6-17(16)18)23(31)28-26-11-15-8-20(29(33)34)22(30)21(9-15)35-3/h4-9,11-12,14,19,25-26H,10,13H2,1-3H3,(H,27,32)(H,28,31)/t19-/m0/s1
InChIKeyKXYRICUOIGNZDX-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S)-3-(1H-indol-3-yl)-1-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-1-oxopropan-2-yl]carbamic acid 2-methylpropyl ester (CHEBI:111332) is a tryptamines (CHEBI:27162)
Manual XrefsDatabases
LSM-22788LINCS