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Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)C2=C(NNC3=C(C)C=C(NC4=NC(NC5=C(C)C=CC(NC(=O)C(Br)CNC(CC(O)=O)C(O)=O)=C5)=NC(Cl)=N4)C=C3)C(=N)C=CC2=C1

InChIKey

InChIKey=FXSJABBTUYWWIR-UHFFFAOYSA-N

Formula

C35H34BrClN10O6

Mass

806.08

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aspartic acid or derivatives - Beta amino acid or derivatives - Alpha-amino acid - Anilide - Diaminotoluene - 2,4-diamine-s-triazine - Phenylhydrazine - N-arylamide - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Toluene - Aryl chloride - Dicarboxylic acid or derivatives - 1,3,5-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - Aryl halide - Heteroaromatic compound - Vinylogous amide - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Ketone - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Organohalogen compound - Organic nitrogen compound - Hydrazine derivative - Imine - Alkyl halide - Carbonyl group - Amine - Organic oxygen compound - Hydrocarbon derivative - Alkyl bromide - Organic oxide - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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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