Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1C[C@H]([NH2+][C@H](CC2=CN=CN2)C([O-])=O)C(=N1)C1=CC=C(OC2=CC=CC=C2)C=C1

InChIKey

InChIKey=XFTRHCIMFJAQGE-RTWAWAEBSA-N

Formula

C23H23N5O4

Mass

433.468

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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 heteromonocyclic compounds

Substituents

Histidine or derivatives - Diphenylether - Diaryl ether - Alpha-amino acid - D-alpha-amino acid - Phenol ether - Imidazolyl carboxylic acid derivative - Phenoxy compound - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazoline - Acetamide - Imidazole - Quaternary ammonium salt - Azole - Carboxylic acid salt - Carboxylic acid - Secondary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteromonocyclic 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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