Structure Information
Structure

Compound Identification

SMILES

CCCCC1(CCCC)CN(C2=CC=CC=C2)C2=CC(SC)=C(ONC(=O)CC(C(=O)NC(CCS(C)(=O)=O)C(O)=O)C3=CC=CC=C3)C=C2S(=O)(=O)C1

InChIKey

InChIKey=XBQLZDNVCNFUGK-UHFFFAOYSA-N

Formula

C39H51N3O9S3

Mass

802.03

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha-amino acid - Alkyldiarylamine - Benzothiazepine - Phenylacetamide - Aryl thioether - Tertiary aliphatic/aromatic amine - Thiophenol ether - Aniline or substituted anilines - Thia fatty acid - Alkylarylthioether - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Sulfone - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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