Structure Information
Structure

Compound Identification

SMILES

C[C@@H](O)[C@@H]1C2SC(OC3=CC=C(C=C3)C#N)=C(N2C1=O)C(O)=O

InChIKey

InChIKey=RRIASPSLXVPUGZ-YNYLGKETSA-N

Formula

C15H12N2O5S

Mass

332.33

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Phenoxy compound - Benzonitrile - Penem - Thiazolecarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Beta-lactam - Monothioacetal - Tertiary carboxylic acid amide - Vinylogous ester - Thiazole - Meta-thiazoline - Azetidine - Carboxamide group - Lactam - Secondary alcohol - Hemithioaminal - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organopnictogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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