Compound Identification
SMILES
Cl.N[C@@H](CC1=CC=CC=C1)C(O)=O.CN(CCCN1C2=CC=CC=C2CCC2=CC=CC=C12)CC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=MXSUWEDJPAIUQN-JGUUTJLBSA-N
Formula
C35H39Cl2N3O3
Mass
620.62
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
-
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
Dibenzazepines Alkyl-phenylketones Alkyldiarylamines Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Aryl alkyl ketones Benzoyl derivatives Aralkylamines Azepines Chlorobenzenes Aryl chlorides Alpha-amino ketones Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Monoalkylamines Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylalanine or derivatives - Dibenzazepine - Alkyl-phenylketone - Alkyldiarylamine - Benzazepine - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenylketone - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Aralkylamine - Halobenzene - Azepine - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Alpha-aminoketone - Ketone - Tertiary aliphatic amine - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic 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