Structure Information
Structure

Compound Identification

SMILES

OC(=O)C[C@H](NC(=O)C1=CC(=CN=C1)S(=O)(=O)N(CC1=CC=CC(CC(O)=O)=C1)C1CC1)C(=O)CSCC1=CC=C(F)C=C1

InChIKey

InChIKey=YRLUPZXWNINTQA-SANMLTNESA-N

Formula

C30H30FN3O8S2

Mass

643.7

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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

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - Pyridine-3-sulfonamide - Nicotinamide - Pyridine carboxylic acid or derivatives - Gamma-keto acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Keto acid - Organosulfonic acid amide - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ketone - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Thioether - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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