Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](CC1=CN=CN1)NC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl

InChIKey

InChIKey=OKSCSVIOPIVWTC-KRWDZBQOSA-N

Formula

C19H24Cl2N4O3

Mass

427.33

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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 - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Dialkylarylamine - Aniline or substituted anilines - Imidazolyl carboxylic acid derivative - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Azole - Methyl ester - Heteroaromatic compound - Imidazole - Carboxamide group - Carboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl chloride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen 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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