Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](NC(=O)[C@@H](CS)CC1=CC=CC=C1)[C@H](NC1=CC=C(Cl)C=C1)C(O)=O

InChIKey

InChIKey=ACNINNJMNBKQCV-XOKHGSTOSA-N

Formula

C20H21ClN2O5S

Mass

436.91

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Acyl-homoserine - Acyl-d-homoserine - Alpha-amino acid - L-alpha-amino acid - Phenylalkylamine - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Fatty amide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Alkylthiol - Secondary amine - Carboxylic acid - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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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