Structure Information
Structure

Compound Identification

SMILES

CC(C)[C@H](NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C1=CC(=C(Cl)C=C1)S(=O)(=O)NC(=O)CSC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F

InChIKey

InChIKey=SQEKFRREQBQUKS-KJVHTFDESA-N

Formula

C50H63ClF3N5O11S3

Mass

1098.7

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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

Peptides

Direct Parent

Dipeptides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-dipeptide - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzamide - Phenylpropane - Benzenesulfonyl group - Indole or derivatives - Benzoic acid or derivatives - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Thiophenol ether - Aryl thioether - Pyrrolidine-2-carboxamide - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-haloketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organofluoride - Organonitrogen compound - Alkyl fluoride - Alkyl halide - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

External Descriptors

Not available

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