Structure Information
Structure

Compound Identification

SMILES

NC(=O)CCNC(=O)C1=CC=CC=C1SC(=O)C1=CC=NC=C1

InChIKey

InChIKey=XZCMOCXIHBREJP-UHFFFAOYSA-N

Formula

C16H15N3O3S

Mass

329.37

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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 - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Aryl thioether - Benzoyl - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Organoheterocyclic compound - Azacycle - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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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