Structure Information
Structure

Compound Identification

SMILES

CCN1N=C(CC2=CC=C(C=C2)S(=O)(=O)C2=CC=CC=C2)C=C1C1CCN(C[C@H]2CN(C[C@@H]2C2=CC(F)=CC=C2)[C@@H](C(O)=O)C(C)(C)C)CC1

InChIKey

InChIKey=GVWWVDUMZPBPEO-MKJJNCKNSA-N

Formula

C40H49FN4O4S

Mass

700.91

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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 heteromonocyclic compounds

Substituents

Valine or derivatives - 3-phenylpyrrolidine - Alpha-amino acid - D-alpha-amino acid - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Pyrrole - Pyrrolidine - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Amino acid - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Aromatic heteromonocyclic 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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