Structure Information
Structure

Compound Identification

SMILES

O=C(CCN1C(=S)SC(=CC2=CC=CS2)C1=O)N1CCCCCC1

InChIKey

InChIKey=JLHYZVGJCMYRJC-UHFFFAOYSA-N

Formula

C17H20N2O2S3

Mass

380.54

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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 - Azepane - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Tertiary carboxylic acid amide - Thiazolidine - Thiophene - Dithiocarbamic acid ester - Heteroaromatic compound - Carboxamide group - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - 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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