Structure Information
Structure

Compound Identification

SMILES

NC(N)=NCCCC[C@@H](CC(O)=O)NC(=O)C1=C(NS(=O)(=O)C2=CC3=NSN=C3C=C2)C=CS1

InChIKey

InChIKey=ABTIEWFVJVXMTH-NSHDSACASA-N

Formula

C19H23N7O5S3

Mass

525.62

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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 - 2,1,3-benzothiadiazole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Medium-chain fatty acid - Heterocyclic fatty acid - Organosulfonic acid amide - Fatty acyl - Fatty acid - Benzenoid - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiadiazole - Heteroaromatic compound - Thiophene - Aminosulfonyl compound - Vinylogous amide - Guanidine - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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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