Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CC1=CN=CN1)NCCC(=O)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=IVYWMVJDIFYQGD-UHFFFAOYSA-N

Formula

C15H16ClN3O3

Mass

321.76

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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 - Alkyl-phenylketone - Alpha-amino acid - Phenylketone - Imidazolyl carboxylic acid derivative - Benzoyl - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Beta-aminoketone - Benzenoid - Monocyclic benzene moiety - Azole - Imidazole - Heteroaromatic compound - Ketone - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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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