Structure Information
Structure

Compound Identification

SMILES

CN(CC(O)=O)CC1=CC(=CC(C)=C1O)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(C)CC(O)=O)=C1

InChIKey

InChIKey=OKYOTYMRDBFYNX-UHFFFAOYSA-N

Formula

C29H32N2O9S

Mass

584.64

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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 - N-acyl-alpha amino acids

Direct Parent

N-benzylalanines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-benzylalanine - Alpha-amino acid - Benzofuranone - Phthalide - Benzoxathiole - O-cresol - Benzylamine - Phenylmethylamine - Aralkylamine - Phenol - Toluene - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.

External Descriptors

Not available

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