Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=NN=C(NC(=O)C(NC(=O)NC2=CC=C(Cl)C=C2)C(C)C)S1

InChIKey

InChIKey=YORQCVBKWFYKBQ-UHFFFAOYSA-N

Formula

C21H22ClN5O3S

Mass

459.95

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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-carbamoyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Valine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-phenylurea - Phenoxy compound - Methoxybenzene - N-arylamide - Phenol ether - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Azole - Carbonic acid derivative - Carboxamide group - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Sulfenyl compound - Vinyl halide - Vinyl chloride - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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