Structure Information
Structure

Compound Identification

SMILES

CC(C)CC(NC(CC1=CN=CN1CC1=CC(Cl)=C(Cl)C=C1)C(O)=O)C(O)=O

InChIKey

InChIKey=XYMXKTAFOZJFLD-UHFFFAOYSA-N

Formula

C19H23Cl2N3O4

Mass

428.31

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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 - Leucine or derivatives - Alpha-amino acid - Imidazolyl carboxylic acid derivative - 1,2-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - N-substituted imidazole - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Imidazole - Amino acid - Azacycle - Carboxylic acid - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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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