Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CN=CN1)N=C(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=CUWILEAFPRNUMW-UHFFFAOYSA-N

Formula

C20H19N3O2

Mass

333.391

Export to:

JSON SDF CSV

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 - Diphenylmethane - Imidazolyl carboxylic acid derivative - Fatty acid ester - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Azole - Heteroaromatic compound - Methyl ester - Secondary ketimine - Azomethine - Imidazole - Ketimine - Carboxylic acid ester - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Imine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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

Previous Back Next