Structure Information
Structure

Compound Identification

SMILES

OC(=O)CN(CCOCCOCCN(CC(O)=O)C(CC1=CC=C(C=C1)[N+]([O-])=O)C(O)=O)CC(O)=O

InChIKey

InChIKey=WSENFOVNBWMGCX-UHFFFAOYSA-N

Formula

C21H29N3O12

Mass

515.472

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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 - Tetracarboxylic acid or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Nitrobenzene - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Amino acid - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Dialkyl ether - Ether - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Carbonyl group - Organic salt - Organic oxygen compound - Amine - 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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