Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C2N=C(NC2=CC=C1)[C@]12C[C@H](CN1CCC(=O)N1CCOCC1)CCC2

InChIKey

InChIKey=DJTSNMQMWVYKJB-QRQCRPRQSA-N

Formula

C22H29N5O3

Mass

411.506

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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 - Benzimidazole - Azepane - Aralkylamine - Morpholine - Oxazinane - Benzenoid - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Imidazole - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen 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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