EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:269574 - abamine

ChEBI IDCHEBI:269574
ChEBI Nameabamine
Stars
DefinitionAn amino acid ester that is methyl glycine in which one of hydrogens attached to the nitrogen is remplaced by a 4-fluorobenzyl group while the other is replaced by a 3,4-dimethoxycinnamyl group.
Last Modified3 March 2015
DownloadsMolfile
FormulaC21H24FNO4
Net Charge0
Average Mass373.424
Monoisotopic Mass373.16894
SMILESCOC(=O)CN(C/C=C/c1ccc(OC)c(OC)c1)Cc1ccc(F)cc1
InChIInChI=1S/C21H24FNO4/c1-25-19-11-8-16(13-20(19)26-2)5-4-12-23(15-21(24)27-3)14-17-6-9-18(22)10-7-17/h4-11,13H,12,14-15H2,1-3H3/b5-4+
InChIKeyMLDWSQWMXACHHN-SNAWJCMRSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
abamine (CHEBI:269574) is a glycine derivative (CHEBI:24373)
abamine (CHEBI:269574) is a methyl ester (CHEBI:25248)
abamine (CHEBI:269574) is a monofluorobenzenes (CHEBI:83575)
abamine (CHEBI:269574) is a tertiary amino compound (CHEBI:50996)
abamine (CHEBI:269574) is a α-amino acid ester (CHEBI:46874)
IUPAC Names 
methyl {[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl](4-fluorobenzyl)amino}acetate
methyl N-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-en-1-yl]-N-(4-fluorobenzyl)glycinate
Synonym  Source
[[(E)-3-(3,4-Dimethoxy-phenyl)-allyl]-(4-fluoro-benzyl)-amino]-acetic acid methyl esterChEMBL
Registry NumbersSources
Reaxys:9794231Reaxys
Citations