Compound Identification
SMILES
CC(C)CCNCC1=CC=CC=C1C1=CC=C(C[C@H](NC(=O)C2=CC=CC=C2Cl)C(O)=O)C=C1
InChIKey
InChIKey=WVPBLVXFXOYONK-SANMLTNESA-N
Formula
C28H31ClN2O3
Mass
479.02
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 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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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
Phenylalanine and derivatives
Alternative Parents
N-acyl-alpha amino acids Hippuric acids Biphenyls and derivatives Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives Phenylmethylamines Benzoyl derivatives Benzylamines Aralkylamines Chlorobenzenes Aryl chlorides Vinylogous halides Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Biphenyl - 3-phenylpropanoic-acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Amphetamine or derivatives - Benzoic acid or derivatives - Benzamide - Benzylamine - Benzoyl - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Secondary amine - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available