Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(NC2=NC(=O)C(NNC(N)=S)=C\C2=N/C2=CC=C(OCC)C=C2)C=C1

InChIKey

InChIKey=OPPKONKMOVNASM-HKOYGPOVSA-N

Formula

C22H24N6O3S

Mass

452.53

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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

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Dihydropyridine - Alkyl aryl ether - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Azomethine - Secondary ketimine - Thiosemicarbazide - Ketimine - N-acylimine - Amidine - Carboxylic acid amidine - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Imine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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