Compound Identification
SMILES
COC1=C(OC)C=C(CCN2C(=O)NC(NC(=O)C3=CC=C(Cl)C=C3)(C2=O)C(F)(F)F)C=C1
InChIKey
InChIKey=VFGJKCUTPUXLCK-UHFFFAOYSA-N
Formula
C21H19ClF3N3O5
Mass
485.84
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
-
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
Hydantoins 4-halobenzoic acids and derivatives Dimethoxybenzenes Benzamides Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers N-acyl ureas Chlorobenzenes Aryl chlorides Dicarboximides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Hydantoin - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Methoxybenzene - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Chlorobenzene - Ureide - Alkyl aryl ether - Halobenzene - N-acyl urea - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazolidinone - Imidazolidine - Dicarboximide - Urea - Secondary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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