Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1CC2=CC=CC=C2C[NH+]1CC(=O)NCCNC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZZMBXAKMBUMMOJ-IBGZPJMESA-O

Formula

C21H25N4O5

Mass

413.453

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Alpha-amino acid amide - Tetrahydroisoquinoline - Nitrobenzene - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Methyl ester - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organic oxoazanium - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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