Structure Information
Structure

Compound Identification

SMILES

COC1=NC(N2CCC(CC2)C2=NC3=C(CCCN3)C=C2)=C(C)C(NC[C@H](CC(=O)OCC2=CC=CC=C2)C(O)=O)=N1

InChIKey

InChIKey=AXYWUSRRNIFJPU-DEOSSOPVSA-N

Formula

C31H38N6O5

Mass

574.682

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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 - Benzyloxycarbonyl - Naphthyridine - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Piperidine - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Fatty acyl - Heteroaromatic compound - Amino acid - Tertiary amine - Carboxylic acid ester - Ether - Carboxylic acid - Azacycle - Secondary amine - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen 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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