Structure Information
Structure

Compound Identification

SMILES

CC(CC(=O)N1CCC[C@H]1C(=O)OC1=CC=CC(CO[N+]([O-])=O)=C1)SC(C)=O

InChIKey

InChIKey=WHNRFLQSMRVXRM-INSVYWFGSA-N

Formula

C18H22N2O7S

Mass

410.44

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha-amino acid - Proline or derivatives - Phenol ester - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenoxy compound - N-acylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Alkyl nitrate - Tertiary carboxylic acid amide - Organic nitrate - Pyrrolidine - Carbothioic s-ester - Organic nitric acid or derivatives - Thiocarboxylic acid ester - Organic nitro compound - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carbonyl group - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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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