Compound Identification
SMILES
CCOC(=O)C(=C\NCC1=N\C(=C/NC2=NC=CC=N2)C(=O)O1)\C(=O)C1=CC=CC=C1
InChIKey
InChIKey=GMOBGLMTVUENMF-LTNDZONTSA-N
Formula
C21H19N5O5
Mass
421.413
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
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Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Aryl ketones Benzoyl derivatives 4-Hydrocarbylideneazlactones Aminopyrimidines and derivatives Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Dicarboxylic acids and derivatives Enoate esters Acryloyl compounds Vinylogous amides Enones Heteroaromatic compounds Enamines Dialkylamines Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Allylamines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Aryl ketone - Benzoyl - Fatty acid ester - Aminopyrimidine - 4-hydrocarbylideneazlactone - Beta-keto acid - Keto acid - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Dicarboxylic acid or derivatives - Fatty acyl - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Oxazoline - Heteroaromatic compound - Ketone - Carboxylic acid ester - Allylamine - Oxacycle - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Enamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available