Structure Information
Structure

Compound Identification

SMILES

CCN(CC)CCC(=O)NC1=CC2=C(C=C1)N(CC1=CC=C(C=C1)C(O)=O)C(CSC1=CC3=CC=CC=C3C=C1)=C2Cl

InChIKey

InChIKey=ZKOUEIIJNGFYMK-UHFFFAOYSA-N

Formula

C34H34ClN3O3S

Mass

600.17

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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 heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Naphthalene - N-alkylindole - Benzoic acid or derivatives - Benzoic acid - Indole - Indole or derivatives - Benzoyl - N-arylamide - Thiophenol ether - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Substituted pyrrole - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Carboxamide group - Tertiary aliphatic amine - Thioether - Azacycle - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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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