Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.N[C@@H](CC1=CC=C(F)C=C1)C(=O)NCC1=CN=C(N)S1

InChIKey

InChIKey=ITGRMPTVQDTVCS-IDMXKUIJSA-N

Formula

C13H17Cl2FN4OS

Mass

367.26

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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 heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2,5-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Benzenoid - Fatty acyl - 1,3-thiazol-2-amine - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic 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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