EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:107691 - 2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester

ChEBI IDCHEBI:107691
ChEBI Name2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester
Stars
DownloadsMolfile
FormulaC16H18N2O4
Net Charge0
Average Mass302.330
Monoisotopic Mass302.12666
SMILESCCOC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O
InChIInChI=1S/C16H18N2O4/c1-3-22-15(20)9-17-14(19)10-18-11(2)8-12-6-4-5-7-13(12)16(18)21/h4-8H,3,9-10H2,1-2H3,(H,17,19)
InChIKeyNXBPOPIEDGTTNV-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)
2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester (CHEBI:107691) is a N-acyl-amino acid (CHEBI:51569)
Manual XrefsDatabases
LSM-19070LINCS