Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC(=O)C1=CSC=C1)C(=O)N1CCN(CCCOC2=CC(F)=C(C=C2)C2=NOC(=N2)C2=CC=CC=C2)CC1

InChIKey

InChIKey=KKGIXXSEDMOFHD-HXUWFJFHSA-N

Formula

C29H30FN5O4S

Mass

563.65

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenyl-1,2,4-oxadiazole - Phenoxy compound - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - 1,2,4-oxadiazole - Oxadiazole - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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