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

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ChEBI Name 2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester
ChEBI ID CHEBI:107691
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H18N2O4
Net Charge 0
Average Mass 302.326
Monoisotopic Mass 302.12666
InChI InChI=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)
InChIKey NXBPOPIEDGTTNV-UHFFFAOYSA-N
SMILES CCOC(=O)CNC(=O)CN1C(=CC2=CC=CC=C2C1=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-19070 LINCS
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