Structure Information
Structure

Compound Identification

SMILES

CCN1CCN(CC1)C(=O)C(CC1=CN=CN1)NS(=O)(=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=KGAHMLREHBJKLL-UHFFFAOYSA-N

Formula

C18H24FN5O3S

Mass

409.48

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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

Histidine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Histidine or derivatives - Alpha-amino acid amide - Benzenesulfonamide - Benzenesulfonyl group - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Benzenoid - Sulfonyl - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Imidazole - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

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