Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=C\N\C(=C/NNC1=NN=C(Cl)C=C1C)C(=O)OC)\C(=O)C1=CC=CC=C1

InChIKey

InChIKey=KDGRYKOIRJAAOV-LTNDZONTSA-N

Formula

C21H22ClN5O5

Mass

459.89

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Aryl ketone - Benzoyl - Fatty acid ester - Beta-keto acid - Keto acid - Dicarboxylic acid or derivatives - Pyridazine - Benzenoid - Aryl chloride - Alpha-branched alpha,beta-unsaturated-ketone - Imidolactam - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated ketone - Methyl ester - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Acryloyl-group - Enone - Heteroaromatic compound - Carboxylic acid ester - Ketone - Allylamine - Azacycle - Organoheterocyclic compound - Enamine - Secondary aliphatic amine - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Hydrazine derivative - Organic oxide - Amine - Organohalogen 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

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