Structure Information
Structure

Compound Identification

SMILES

O=C(NCCC1=CC2=C(OCO2)C=C1)C1COCCN1C1=NC(=NC=C1)N1C=CN=C1

InChIKey

InChIKey=WZZMIVLHLZSFPO-UHFFFAOYSA-N

Formula

C21H22N6O4

Mass

422.445

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Benzodioxole - Morpholine-3-carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Morpholine - N-substituted imidazole - Imidolactam - Benzenoid - Oxazinane - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Acetal - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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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