Structure Information
Structure

Compound Identification

SMILES

O=C(CCN1C(=S)S\C(=C\C=C\C2=CC=CC=C2)C1=O)NCCN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/C=C/C2=CC=CC=C2)C1=O

InChIKey

InChIKey=COQSPVSFMREIQM-UNOZQHNUSA-N

Formula

C36H37N5O4S4

Mass

731.96

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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 - Styrene - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Tertiary carboxylic acid amide - Thiazolidine - Dithiocarbamic acid ester - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Amine - 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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