Structure Information
Structure

Compound Identification

SMILES

COC1CN(C(=O)CCNC(CCCCC(O)=O)OC(=O)CCCCC(CCSCC2=CC=CC=C2)SCC2=CC=CC=C2)C(=O)C1

InChIKey

InChIKey=MCXQFNLRQVJPPB-UHFFFAOYSA-N

Formula

C36H50N2O7S2

Mass

686.92

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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 - N-acylpyrrolidine - Fatty acid ester - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Carboxylic acid imide, n-substituted - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Carboxylic acid imide - Dicarboximide - Carboxylic acid ester - Tertiary amine - Amino acid - Lactam - Carboxylic acid - Dialkyl ether - Azacycle - Organoheterocyclic compound - Ether - Dialkylthioether - Sulfenyl compound - Thioether - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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