Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC(N=C(N)N)=N1)C1=CC(=CC=C1)C(=O)NCC(CC(O)=O)C1=CN=CC=C1

InChIKey

InChIKey=NKIDCRNDKINHGI-UHFFFAOYSA-N

Formula

C21H22N6O3S

Mass

438.51

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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

Gamma amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Gamma amino acid or derivatives - Benzamide - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Monocyclic benzene moiety - Pyridine - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.

External Descriptors

Not available

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