Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1C[C@H](NC1=C(C=C(C(N[C@@H](C)C(N)=O)=C1)[N+]([O-])=O)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=SAJAHFMCYAKLEY-HZMBPMFUSA-N

Formula

C19H21N5O8

Mass

447.404

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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

Phenylalanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenylalanine or derivatives - Dinitroaniline - Alpha-amino acid amide - 3-phenylpropanoic-acid - Alanine or derivatives - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Anisole - Phenol ether - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Primary carboxylic acid amide - Organic nitro compound - Amino acid - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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