Structure Information
Structure

Compound Identification

SMILES

COCCCC1=[N+]([O-])C(OCCCS(C)(=O)=O)=CC(CN(C2CC2)C(=O)C(CN)CC2=CC=C(OCCOC3=C(Cl)C=C(C)C=C3Cl)C=C2)=C1

InChIKey

InChIKey=YHLCUYSOELDAOB-UHFFFAOYSA-N

Formula

C36H47Cl2N3O8S

Mass

752.75

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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 - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Sulfonyl - Sulfone - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Dialkyl ether - Ether - Organic salt - Amine - Organohalogen compound - Primary aliphatic amine - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organosulfur compound - Carbonyl group - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organic cation - 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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