Structure Information
Structure

Compound Identification

SMILES

CNC(=O)[C@@H]1CCCN1CCOC1=CC(OC2CCOCC2)=C2C(NC3=C(Br)C=CC(OC)=C3)=NC=NC2=C1

InChIKey

InChIKey=VCVITBJRYVJDMQ-DEOSSOPVSA-N

Formula

C28H34BrN5O5

Mass

600.514

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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 - Alpha amino acids and derivatives

Direct Parent

Proline and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Proline or derivatives - Alpha-amino acid amide - Quinazolinamine - Diazanaphthalene - Quinazoline - Methoxyaniline - Anisole - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Bromobenzene - Halobenzene - Aminopyrimidine - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Oxane - Pyrimidine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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