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CHEBI:48491 - methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate

ChEBI IDCHEBI:48491
ChEBI Namemethyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
Stars
ASCII Namemethyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
DefinitionA non-proteinogenic amino acid derivative that is methyl alaninate substituted by a tert-butoxycarbonyl group the primary amino group and by a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3.
Last Modified5 March 2020
Submitterhcourrier
DownloadsMolfile
FormulaC24H24Cl2N2O4
Net Charge0
Average Mass475.372
Monoisotopic Mass474.11131
SMILESCOC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H24Cl2N2O4/c1-24(2,3)32-23(30)28-20(22(29)31-4)13-14-8-10-18-15(12-14)9-11-19(27-18)21-16(25)6-5-7-17(21)26/h5-12,20H,13H2,1-4H3,(H,28,30)
InChIKeyWHGRXJGDURXZBN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48491) has part tert-butoxycarbonyl group (CHEBI:48502)
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48491) is a carbamate ester (CHEBI:23003)
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48491) is a dichlorobenzene (CHEBI:23697)
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48491) is a methyl ester (CHEBI:25248)
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48491) is a non-proteinogenic amino acid derivative (CHEBI:83812)
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48491) is a quinolines (CHEBI:26513)
IUPAC Name 
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate
Synonym  Source
2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoatePatent
Manual XrefsDatabases
EP1870402Patent