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CHEBI:48475 - methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate

ChEBI IDCHEBI:48475
ChEBI Namemethyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
Stars
ASCII Namemethyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
DefinitionAn alanine derivative that is methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate in which one of the hydrogens attached to the primary amino group is replaced by a 2,6-dichlorobenzyl group.
Last Modified13 April 2015
Submitterhcourrier
DownloadsMolfile
FormulaC26H20Cl4N2O2
Net Charge0
Average Mass534.270
Monoisotopic Mass532.02789
SMILESCOC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl
InChIInChI=1S/C26H20Cl4N2O2/c1-34-26(33)24(31-14-17-18(27)4-2-5-19(17)28)13-15-8-10-22-16(12-15)9-11-23(32-22)25-20(29)6-3-7-21(25)30/h2-12,24,31H,13-14H2,1H3
InChIKeyPWAIQNUMCYWKDB-UHFFFAOYSA-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)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) has functional parent methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a dichlorobenzene (CHEBI:23697)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a non-proteinogenic amino acid derivative (CHEBI:83812)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a quinolines (CHEBI:26513)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a secondary amino compound (CHEBI:50995)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate
Synonym  Source
methyl 2-[(2,6-dichlorobenzyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoatePatent
Manual XrefsDatabases
EP1870402Patent