Compound Identification
SMILES
COC(=O)C(CCCCN1C(C)=C(C=C1C1=CSC(=N1)C1=CC(Cl)=C(F)C=C1)C(N)=O)NC(C)=O
InChIKey
InChIKey=ZONASWXNCLJRGH-UHFFFAOYSA-N
Formula
C24H26ClFN4O4S
Mass
521.0
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Alpha amino acid esters Pyrrole carboxamides Chlorobenzenes Fatty acid esters Fluorobenzenes 2,4-disubstituted thiazoles Substituted pyrroles Aryl fluorides Aryl chlorides Vinylogous amides Heteroaromatic compounds Acetamides Methyl esters Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Fatty acyl - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Pyrrole - Thiazole - Methyl ester - Vinylogous amide - Azole - Acetamide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen 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