Compound Identification
SMILES
CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC(Cl)=C(OCCN2CCN(C)CC2)C(Cl)=C1O
InChIKey
InChIKey=IPSSXIMJJXSJQB-FQEVSTJZSA-N
Formula
C25H31Cl2N3O5
Mass
524.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives 3-halobenzoic acids and derivatives Amphetamines and derivatives Salicylamides Benzoyl derivatives Dichlorobenzenes Phenoxy compounds Phenol ethers O-chlorophenols P-chlorophenols Fatty acid esters Alkyl aryl ethers N-methylpiperazines Aryl chlorides Vinylogous acids Trialkylamines Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - 2-chlorophenol - 1,3-dichlorobenzene - 4-chlorophenol - Phenol ether - Benzoyl - 4-halophenol - 2-halophenol - Phenol - Halobenzene - Chlorobenzene - Fatty acid ester - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Piperazine - 1,4-diazinane - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Vinylogous acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - 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