Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CC1=CN(C=N1)C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)NC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=WOZYZMUUGRWSLF-AWEZNQCLSA-N

Formula

C18H13N7O10

Mass

487.341

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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 - Dinitroaniline - 1-phenylimidazole - Alpha-amino acid - L-alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Phenylalkylamine - Imidazolyl carboxylic acid derivative - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Amino acid - C-nitro compound - Organic nitro compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Amine - Organic salt - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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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