Compound Identification
SMILES
N[C@@H](CC1=CC=CC=C1)C(O)=O.CNCC1=C(OC2=CC(Cl)=C(Cl)C=C2)C=CC(=C1)C1=CC=CC=C1
InChIKey
InChIKey=ZDUXKRQHLCOPJJ-WDBKTSHHSA-N
Formula
C29H28Cl2N2O3
Mass
523.45
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
-
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
Diphenylethers Biphenyls and derivatives Phenylpropanoic acids Diarylethers Amphetamines and derivatives L-alpha-amino acids Phenoxy compounds Phenol ethers Phenylmethylamines Benzylamines Dichlorobenzenes Aralkylamines Aryl chlorides Amino acids Carboxylic acids Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Organochlorides Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Not available
Substituents
Phenylalanine or derivatives - Diphenylether - Biphenyl - Diaryl ether - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - 1,2-dichlorobenzene - Benzylamine - Phenol ether - Phenylmethylamine - Halobenzene - Chlorobenzene - Aralkylamine - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Amino acid - Ether - Carboxylic acid - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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