Compound Identification
SMILES
[Na+].CC1=C(OC2CCN(CC3CCN(CC3)[C@@H](CC3=CC=C(F)C=C3)C([O-])=O)CC2)C=CC(Cl)=C1Cl
InChIKey
InChIKey=AYOBZGMRWVCHTF-JIDHJSLPSA-M
Formula
C27H32Cl2FN2NaO3
Mass
545.45
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
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
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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
Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Phenoxy compounds Phenol ethers Dichlorobenzenes Toluenes Alkyl aryl ethers Aralkylamines Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Trialkylamines Amino acids Carboxylic acid salts Organic metal halides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organofluorides Organic oxides Carbonyl compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Alkyl aryl ether - Toluene - Halobenzene - Fluorobenzene - Aralkylamine - Chlorobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Aryl chloride - Piperidine - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid salt - Amino acid - Organic metal halide - Azacycle - Organic alkali metal salt - Carboxylic acid - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic salt - Organic nitrogen compound - Organic sodium salt - Carbonyl group - Amine - Organic oxygen compound - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen 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