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CHEBI:48479 - N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine

ChEBI IDCHEBI:48479
ChEBI NameN-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine
Stars
ASCII NameN-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine
DefinitionAn N-acyl amino acid that is alanine substituted by a 2,6-dichlorobenzoyl group at the N and a 2-phenoxy-6-quinolyl group at position 3.
Last Modified13 April 2015
Submitterhcourrier
DownloadsMolfile
FormulaC25H18Cl2N2O4
Net Charge0
Average Mass481.335
Monoisotopic Mass480.06436
SMILESO=C(NC(Cc1ccc2nc(Oc3ccccc3)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C25H18Cl2N2O4/c26-18-7-4-8-19(27)23(18)24(30)29-21(25(31)32)14-15-9-11-20-16(13-15)10-12-22(28-20)33-17-5-2-1-3-6-17/h1-13,21H,14H2,(H,29,30)(H,31,32)
InChIKeyYEKXMINYMSLPNZ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine (CHEBI:48479) has part 2,6-dichlorobenzoyl group (CHEBI:48625)
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine (CHEBI:48479) is a N-acyl-amino acid (CHEBI:51569)
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine (CHEBI:48479) is a aromatic ether (CHEBI:35618)
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine (CHEBI:48479) is a dichlorobenzene (CHEBI:23697)
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine (CHEBI:48479) is a non-proteinogenic amino acid derivative (CHEBI:83812)
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine (CHEBI:48479) is a quinolines (CHEBI:26513)
Incoming Relation(s)
methyl N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alaninate (CHEBI:48481) has functional parent N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine (CHEBI:48479)
IUPAC Name 
N-(2,6-dichlorobenzoyl)-3-(2-phenoxy-6-quinolyl)alanine
Synonym  Source
2-[(2,6-dichlorobenzoyl)amino]-3-(2-phenoxy-6-quinolinyl)propanoic acidPatent
Manual XrefsDatabases
EP1870402Patent