Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1NC(=O)C1C(C2=CC=CS2)C(C#N)=C(NC1(C)O)SCC(=O)NC1=CC=CC=C1

InChIKey

InChIKey=OJRANMWRKUXMSI-UHFFFAOYSA-N

Formula

C27H26N4O3S2

Mass

518.65

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Anilide - N-arylamide - Tetrahydropyridine - Toluene - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Alkanolamine - Carbonitrile - Nitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - 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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