Structure Information
Structure

Compound Identification

SMILES

NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC.COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1

InChIKey

InChIKey=YJDDFLDXUPNQTO-SSCFPSDZSA-N

Formula

C57H86Cl2N8O15S2

Mass

1258.38

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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

Delta amino acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Delta amino acid or derivatives - 1,2,4-benzothiadiazine-1,1-dioxide - Phenylbutylamine - Beta amino acid or derivatives - Benzothiadiazine - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Dihydropyridine - Aralkylamine - Chlorobenzene - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Organosulfonic acid amide - Fatty amide - Monocyclic benzene moiety - Hydropyridine - N-acyl-amine - Aryl halide - Aryl chloride - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid ester - Secondary amine - Azacycle - Ether - Enamine - Organoheterocyclic compound - Secondary aliphatic amine - Dialkyl ether - Primary amine - Alcohol - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary aliphatic amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.

External Descriptors

Not available

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