Structure Information
Structure

Compound Identification

SMILES

COCCCC1=[N+]([O-])C=C(Cl)C(CN(C2CC2)C(=O)C(CN)CC2=CC=C(CCCOC3=C(Cl)C=C(C)C=C3Cl)C=C2)=C1

InChIKey

InChIKey=XDQLMSRLTKRTOW-UHFFFAOYSA-N

Formula

C33H40Cl3N3O4

Mass

649.05

Export to:

JSON SDF CSV

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 - Toluene - Aralkylamine - Benzenoid - Aryl chloride - Pyridinium - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic salt - Primary aliphatic amine - Organohalogen compound - Organic oxygen compound - Organochloride - Amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Primary amine - 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

Previous Back Next