Structure Information
Structure

Compound Identification

SMILES

NC(CS(O)(=O)=O)C(O)=O.COC1=C(OC)C=C(C=C1)C(CC(N)=O)N1CC2=CC=CC=C2C1=O

InChIKey

InChIKey=UHVPRWVVZLRCSQ-UHFFFAOYSA-N

Formula

C22H27N3O9S

Mass

509.53

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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

Not available

Substituents

Beta amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Isoindolone - Alpha-amino acid or derivatives - Alpha-amino acid - Isoindoline - Isoindole - Isoindole or derivatives - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactam - Carboxamide group - Primary carboxylic acid amide - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Amine - Organic oxide - Primary amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteropolycyclic 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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