Compound Identification
SMILES
OC1=C(Cl)C=C(C[C@H](N[C@H](C(F)F)C2=CC=C(F)C=C2)C(=O)NC2(CC2)C#N)C=C1Cl
InChIKey
InChIKey=VLLPCOSSWZLPGG-IRXDYDNUSA-N
Formula
C21H18Cl2F3N3O2
Mass
472.29
Taxonomic Classification
Taxonomy Tree
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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 Tyrosine 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
Tyrosine and derivatives
Alternative Parents
Phenylalanine and derivatives Alpha amino acid amides Amphetamines and derivatives Dichlorobenzenes O-chlorophenols Aralkylamines Fluorobenzenes Aryl chlorides Aryl fluorides Fatty amides Secondary carboxylic acid amides Dialkylamines Nitriles Organic oxides Carbonyl compounds Alkyl fluorides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2-halophenol - 2-chlorophenol - 1,3-dichlorobenzene - Aralkylamine - Phenol - Chlorobenzene - Halobenzene - Fluorobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Aryl halide - Aryl chloride - Aryl fluoride - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Secondary aliphatic amine - Nitrile - Carbonitrile - Organofluoride - Alkyl halide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available