Structure Information
Structure

Compound Identification

SMILES

NCCNC(=O)CCN1[C@H](S[C@H](CC(=O)NCC2=CC=CC3=CC=CC=C23)C1=O)C1=C(Cl)C=C(Cl)C=C1

InChIKey

InChIKey=JIWAAWYXMISOFH-YIXXDRMTSA-N

Formula

C27H28Cl2N4O3S

Mass

559.51

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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 - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Dialkylthioether - Thioether - Azacycle - Primary amine - Primary aliphatic amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - 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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