Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(=O)C[C@H](NC(=O)CCC(=O)NC1=CC=C(C=C1)C(N)=N)C#C

InChIKey

InChIKey=JTZJXWLQRZUDFJ-BTQNPOSSSA-N

Formula

C18H23ClN4O4

Mass

394.86

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - Anilide - N-arylamide - Fatty acid ester - N-acyl-amine - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid amidine - Carboximidamide - Amidine - Acetylide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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