Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=NC2=CC=C(C=C2)C(=O)NN2C(=O)C(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)N=C2C2=C(Cl)C=CC(=C2)[N+]([O-])=O)C=CC(=C1)N(CCC#N)CCC#N

InChIKey

InChIKey=HJKNVQLTUYRFRO-UHFFFAOYSA-N

Formula

C43H36ClN11O4

Mass

806.28

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - Toluene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Imidazolinone - Benzenoid - Monocyclic benzene moiety - 2-imidazoline - Shiff base - C-nitro compound - Carboxylic acid amidrazone - Tertiary amine - Organic nitro compound - Carboxylic acid hydrazide - Aldimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Cyanide - Amine - Organic salt - Carbonyl group - Organic oxygen compound - Organic zwitterion - Imine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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