Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CNCC1=CC=CC=N1)C(NCC1=CC=CC=N1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=LXKSCCPQWNDOLY-UHFFFAOYSA-N

Formula

C22H23N5O4

Mass

421.457

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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 heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - 3-phenylpropanoic-acid - Nitrobenzene - 2-pyridylmethylamine - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Amino acid - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Amine - Organic oxide - Aromatic heteromonocyclic 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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