Structure Information
Structure

Compound Identification

SMILES

O=C(C[C@@H]1CCNC[C@@H]1CC1=NOC(CN2CCN(CC2)C2=CC=CC=C2)=C1)N1CCN(CC1)C1=CC=CC=N1

InChIKey

InChIKey=DJXKTGKWFAHSBP-UIOOFZCWSA-N

Formula

C31H41N7O2

Mass

543.716

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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

Delta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Delta amino acid or derivatives - Phenylpiperazine - Pyridinylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyridine - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - Imidolactam - Benzenoid - 1,4-diazinane - Piperazine - Piperidine - Pyridine - Azole - Heteroaromatic compound - Isoxazole - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Azacycle - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Oxacycle - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.

External Descriptors

Not available

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