Structure Information
Structure

Compound Identification

SMILES

CCCC[C@@H](NC(=O)C1=CC=C(S1)C#CC(C)(C)O)C(O)=O

InChIKey

InChIKey=LDIRHMPPDZILID-GFCCVEGCSA-N

Formula

C16H21NO4S

Mass

323.41

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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 heteromonocyclic compounds

Substituents

N-acyl-alpha-amino acid - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Medium-chain fatty acid - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - 2,5-disubstituted thiophene - Ynone - Fatty acyl - Heteroaromatic compound - Thiophene - Tertiary alcohol - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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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