Compound Identification
SMILES
CNC1=CC=CC=C1\C=C\C[C@@H](NC(=O)CC1=C(F)C=CC2=C1C=CC2NS(=O)(=O)C1=CC=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=QUENAWRNOYQYRB-SSMCQGDDSA-N
Formula
C29H27ClFN3O5S
Mass
584.06
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
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Indenes and isoindenes Phenylalkylamines Styrenes Aniline and substituted anilines Medium-chain fatty acids Secondary alkylarylamines Chlorobenzenes Halogenated fatty acids Organosulfonamides Aryl chlorides Aryl fluorides Unsaturated fatty acids Aminosulfonyl compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Benzenesulfonamide - Indene - Benzenesulfonyl group - Styrene - Medium-chain fatty acid - Phenylalkylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Halogenated fatty acid - Secondary aliphatic/aromatic amine - Fatty acyl - Unsaturated fatty acid - Organosulfonic acid amide - Fatty acid - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available