Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1CSC2C(NC(=O)CC#N)C(=O)N2C1C(O)=O

InChIKey

InChIKey=ZPYQRDREPIEFJK-UHFFFAOYSA-N

Formula

C13H15N3O6S

Mass

341.34

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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

Aliphatic heteropolycyclic compounds

Substituents

Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Cepham - Dicarboxylic acid or derivatives - 1,3-thiazinane - Beta-lactam - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Carbonitrile - Nitrile - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic 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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