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
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
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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 Fatty acid esters Beta-keto acids and derivatives Pyridazines and derivatives Alpha-branched alpha,beta-unsaturated ketones Imidolactams Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Acryloyl compounds Methyl esters Heteroaromatic compounds Enones Enoate esters Allylamines Azacyclic compounds Enamines Dialkylamines Hydrazines and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
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