Structure Information
Structure

Compound Identification

SMILES

CC(C)CN(CC(O)[C@H](CC1=CC=CC=C1)N(CC1=CC(F)=CC=C1)[C@@H](C(=O)NC(=O)CN)C(C)(C)C)S(=O)(=O)C1=CC=CC(N)=C1

InChIKey

InChIKey=BHPRDABYBCABNU-NCNGZOBXSA-N

Formula

C35H48FN5O5S

Mass

669.86

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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

Valine and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Valine or derivatives - Alpha-amino acid amide - Aminobenzenesulfonamide - Phenylbutylamine - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenylmethylamine - Benzylamine - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - N-acyl-amine - Aryl fluoride - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid imide, n-unsubstituted - Carboxylic acid imide - Dicarboximide - Aminosulfonyl compound - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Primary aliphatic amine - Organohalogen compound - Aromatic homomonocyclic compound

Description

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