Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)C(C(=O)OC)=C(NC(=O)CCN2CCCN(CC2)C(=O)C2=CC=CC=C2)S1

InChIKey

InChIKey=SZTKTROANCEPME-UHFFFAOYSA-N

Formula

C24H29N3O6S

Mass

487.57

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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 - Benzamide - Benzoic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - N-arylamide - 1,4-diazepane - Diazepane - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Methyl ester - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen 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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