Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@@H](NC(=O)CC1=CC=CS1)C(=O)N\N=C/C1=CC(OCC([O-])=O)=CC=C1

InChIKey

InChIKey=WWKPXMPRXDCDRC-WVGJEZMVSA-M

Formula

C20H22N3O5S

Mass

416.47

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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 heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Valine or derivatives - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic anion - Aromatic heteromonocyclic 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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