Compound Identification
SMILES
Cl.CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CCN(C)CC2)C(Cl)=C1O
InChIKey
InChIKey=UFZBIFFQQLANIW-BDQAORGHSA-N
Formula
C25H32Cl3N3O5
Mass
560.9
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
Hippuric acids and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Salicylamides 3-halobenzoic acids and derivatives Amphetamines and derivatives Benzoyl derivatives Dichlorobenzenes Phenoxy compounds Phenol ethers P-chlorophenols O-chlorophenols Fatty acid esters Alkyl aryl ethers N-methylpiperazines Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Trialkylamines Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid ester - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - 2-halophenol - Phenoxy compound - 4-halophenol - 1,3-dichlorobenzene - 4-chlorophenol - Benzoyl - 2-chlorophenol - Phenol ether - Alkyl aryl ether - Fatty acid ester - Chlorobenzene - Phenol - N-methylpiperazine - N-alkylpiperazine - Halobenzene - Aryl chloride - 1,4-diazinane - Piperazine - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Aryl halide - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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