Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=O)C2=C(O)C(CSCC(NC(C)=O)C(O)=O)=C(OC)C=C2C1=O

InChIKey

InChIKey=PBMJDDQAEYEYKK-UHFFFAOYSA-N

Formula

C18H19NO8S

Mass

409.41

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

N-acyl-alpha-amino acid - Cysteine or derivatives - Naphthoquinone - Naphthalene - Anisole - Phenol ether - Quinone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Acetamide - Vinylogous ester - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Ketone - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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