Structure Information
Structure

Compound Identification

SMILES

CC(=O)N[C@@H](CSC1CC(=O)C=C2C(C#N)=C(N)N(C3=CC=CC=C3)C12C)C(O)=O

InChIKey

InChIKey=CBCYAHKLOAXFPI-XPQZIERPSA-N

Formula

C21H22N4O4S

Mass

426.49

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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 - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids

Direct Parent

N-acyl-L-alpha-amino acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-l-alpha-amino acid - Cysteine or derivatives - 1-phenylpyrroline - Indole or derivatives - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrroline - Acetamide - Cyclic ketone - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Ketone - Organoheterocyclic compound - Dialkylthioether - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.

External Descriptors

Not available

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