Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=C(N=CN1C)[N+]([O-])=O)NC(=O)OC(C)(C)C

InChIKey

InChIKey=RGIRHUPPDFQXFG-UHFFFAOYSA-N

Formula

C13H20N4O6

Mass

328.325

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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 - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Nitroimidazole - Fatty acid ester - N-substituted imidazole - Fatty acyl - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organonitrogen compound - 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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