Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=CC=C(N\N=C2/C(=O)C3=C(C=C(NC4=NC(=NC(Cl)=N4)N(CCC(N)=O)CCC(N)=O)C=C3)C=C2S([O-])(=O)=O)C=C1

InChIKey

InChIKey=YMCOBROQPZDSMS-OWRVLCJCSA-M

Formula

C26H25ClN9NaO7S

Mass

666.04

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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

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Naphthalene - Methoxyaniline - Aryl ketone - Phenylhydrazine - Phenol ether - Dialkylarylamine - Phenoxy compound - 2,4-diamine-s-triazine - Methoxybenzene - Anisole - N-aliphatic s-triazine - Alkyl aryl ether - Aminotriazine - Amino-1,3,5-triazine - Halo-s-triazine - Chloro-s-triazine - 1,3,5-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Primary carboxylic acid amide - Carboxamide group - Ketone - Organic metal halide - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Ether - Hydrazone - Organic zwitterion - Organic sodium salt - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic salt - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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