Structure Information
Structure

Compound Identification

SMILES

[Na+].C[C@@H](O)[C@@H]1[C@H]2SC(CSC(=S)N3CCN(CC3)C(=O)C3=CC(O)=C(O)C=C3)=C(N2C1=O)C([O-])=O

InChIKey

InChIKey=XDIMEBDEKMZQPZ-NFTJIVJOSA-M

Formula

C21H22N3NaO7S3

Mass

547.59

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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 - Benzamide - Benzoic acid or derivatives - Thiazolecarboxylic acid or derivatives - Benzoyl - Catechol - Penem - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Piperazine - Benzenoid - Vinylogous thioester - 1,4-diazinane - Meta-thiazoline - Beta-lactam - Tertiary carboxylic acid amide - Thiazole - Dithiocarbamic acid ester - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Tertiary amine - Thioenolether - Hemithioaminal - Sulfenyl compound - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Organic alkali metal salt - Organic nitrogen compound - Organic sodium salt - Amine - Carbonyl group - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - 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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