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

EMBL-EBI | Chemical Biology | ChEBI

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

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

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

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:48475
ChEBI Name	methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
Stars
ASCII Name	methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
Definition	An 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 Modified	13 April 2015
Submitter	hcourrier
Downloads	Molfile

Formula	C26H20Cl4N2O2
Net Charge	0
Average Mass	534.270
Monoisotopic Mass	532.02789
SMILES	COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl
InChI	InChI=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
InChIKey	PWAIQNUMCYWKDB-UHFFFAOYSA-N

Roles Classification

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]propanoate	Patent

Manual Xrefs	Databases
EP1870402	Patent