Structure Information
Structure

Compound Identification

SMILES

CN1C=C(CC(N)C(O)=O)N=C1C1CCCCC1

InChIKey

InChIKey=APQJOQCVDYMOPM-UHFFFAOYSA-N

Formula

C13H21N3O2

Mass

251.33

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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 - 1,2,4-trisubstituted-imidazole - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Aralkylamine - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Amine - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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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