Structure Information
Structure

Compound Identification

SMILES

Cl.O=C(CCN1CCCCC1)NC1=NN=C(S1)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=PVXYFECTOMSMPB-UHFFFAOYSA-N

Formula

C17H21ClN4O3S

Mass

396.89

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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

Benzodioxoles N-arylamides Benzenoids Piperidines Thiadiazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Benzodioxole - N-arylamide - Piperidine - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Aromatic heteropolycyclic 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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