Structure Information
Structure

Compound Identification

SMILES

CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)NC(CC1=CN=CN1)C(O)=O

InChIKey

InChIKey=JFYMULPOOMWHNX-UHFFFAOYSA-N

Formula

C21H22N10O3

Mass

462.474

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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 - Alpha amino acids and derivatives

Direct Parent

Histidine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Histidine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Hippuric acid - Aminobenzamide - Aminobenzoic acid or derivatives - Pteridine - Benzoic acid or derivatives - Benzamide - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Imidazolyl carboxylic acid derivative - Aminopyrimidine - Aralkylamine - Imidolactam - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyrazine - Imidazole - Heteroaromatic compound - Azole - Amino acid - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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