Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=C(C=C1)N=C1SC(C(=O)NC2=CC=CC3=CC=CC=C23)C(N)=C1C(=O)NC1=CC(OC)=CC=C1

InChIKey

InChIKey=QKTKJTVXQSBFDR-UHFFFAOYSA-N

Formula

C31H28N4O4S

Mass

552.65

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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 - Naphthalene - Methoxyaniline - Anilide - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Imidothiolactone - Benzenoid - Vinylogous amide - 2,5-dihydrothiophene - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Enamine - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary 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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