Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](N)CC1=CN(CC2=CC=CC=C2[N+]([O-])=O)C=N1

InChIKey

InChIKey=IQMGGXBDCFLIKM-LBPRGKRZSA-N

Formula

C14H16N4O4

Mass

304.306

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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

Histidine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Histidine or derivatives - Alpha-amino acid ester - Nitrobenzene - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Methyl ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Primary amine - Organic salt - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as histidine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine 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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