Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@H](C)C(NC1=CC=CC=C1O)C1=CC=C(C=C1)C1=CC=CS1

InChIKey

InChIKey=FJTKJAIKQYJOIH-RBFZIWAESA-N

Formula

C22H23NO3S

Mass

381.49

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Phenylpropane - Aminophenol - O-aminophenol - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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