Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@H](CC1=CC=CC(=C1)C#N)NS(=O)(=O)C1=CC2=C(CCNC2)C=C1

InChIKey

InChIKey=VDTVGPSIXJPVCN-HXUWFJFHSA-N

Formula

C21H23N3O4S

Mass

413.49

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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

Direct Parent

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Tetrahydroisoquinoline - Benzonitrile - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Organosulfonic acid amide - Fatty acyl - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Nitrile - Carbonitrile - Amine - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

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