Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC(NC(=O)CCNC(=O)C1=C(C)N=C(S1)N=C(N)N)C1=CC=CC=C1

InChIKey

InChIKey=VJOCSWOFCWONAL-UHFFFAOYSA-N

Formula

C20H26N6O4S

Mass

446.53

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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

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Azole - Thiazole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Guanidine - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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