Structure Information
Structure

Compound Identification

SMILES

NC(=O)CCNC(=O)C1=CC(SSC2=CC=CC(=C2)C(=O)NCCC(N)=O)=CC=C1

InChIKey

InChIKey=BREJUMHCXJAGDE-UHFFFAOYSA-N

Formula

C20H22N4O4S2

Mass

446.54

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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 homomonocyclic compounds

Substituents

Beta amino acid or derivatives - M-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organic disulfide - Carboxamide group - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic 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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