Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(NC1N(CCCOC(C)C)C(=O)C2=CC=CC=C12)C1=CC=C(OCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=HERLTTBSSJXNPR-UHFFFAOYSA-N

Formula

C31H36N2O5

Mass

516.638

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Ether - Dialkyl ether - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - 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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