Structure Information
Structure

Compound Identification

SMILES

CN1N=NN=C1SCC1=C(N2C(OC1)[C@H](NC(=O)CC1=CC=C(O)C=C1)C2=O)C(O)=O

InChIKey

InChIKey=RDLDGVSRRZWQNT-JBZHPUCOSA-N

Formula

C18H18N6O6S

Mass

446.44

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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 - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Phenylacetamide - Oxacephem - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Carboxamide group - Lactam - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Oxacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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