Compound Identification
SMILES
CC1=CC(=CC(C)=C1)S(=O)(=O)C1=C(NC2=C1C(F)=C(Cl)C=C2)C(=O)NC(CO)C(N)=O
InChIKey
InChIKey=PIJLMEBBZQIZAK-UHFFFAOYSA-N
Formula
C20H19ClFN3O5S
Mass
467.9
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Serine and derivatives Indolecarboxamides and derivatives Benzenesulfonyl compounds Indoles m-Xylenes Pyrrole carboxamides 2-heteroaryl carboxamides Substituted pyrroles Aryl chlorides Aryl fluorides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxamide derivative - Serine or derivatives - Indole or derivatives - Indole - Benzenesulfonyl group - Xylene - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - M-xylene - Pyrrole-2-carboxamide - Monocyclic benzene moiety - Aryl fluoride - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl halide - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organofluoride - Organochloride - Organohalogen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic 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