Structure Information
Structure

Compound Identification

SMILES

CSCC(=O)N1CC(CC1C(=O)NC(CCS(C)(=O)=O)C(N)=O)NC(=O)NC1=CC(SC)=CC=C1

InChIKey

InChIKey=IRCHSPWCDMZXJL-UHFFFAOYSA-N

Formula

C21H31N5O6S3

Mass

545.69

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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

Peptides

Direct Parent

Dipeptides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-dipeptide - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-phenylurea - Aryl thioether - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Thiophenol ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Pyrrolidine - Carboxamide group - Urea - Primary carboxylic acid amide - Secondary carboxylic acid amide - Thioether - Azacycle - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

External Descriptors

Not available

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