Structure Information
Structure

Compound Identification

SMILES

CN1N=NN=C1SCC1=C(N2C(SC1)[C@H](NC1=CC=[N+](CC3=CC=CC=C3)C=C1)C2=O)C(O)=O

InChIKey

InChIKey=MZRVUZHPHNYXTK-DIAVIDTQSA-O

Formula

C22H22N7O3S2

Mass

496.58

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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 - Cephem - Aryl thioether - Aminopyridine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Meta-thiazine - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyridinium - Azole - Heteroaromatic compound - Beta-lactam - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Amino acid - Carboxamide group - Lactam - Tertiary amine - Thioether - Dialkylthioether - Hemithioaminal - Secondary amine - Sulfenyl compound - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organosulfur compound - Organooxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic cation - 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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