Compound Identification
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C(OC1=NC(N)=NC(=C1)C1=CC=C(C[C@H](N)C(O)=O)C=C1)C(F)(F)F
InChIKey
InChIKey=WEXYOPYKPZFNFQ-UCFFOFKASA-N
Formula
C22H21F3N4O5S
Mass
510.49
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 Phenylalanine and derivatives
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Phenylpyrimidines Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Benzenesulfonyl compounds Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Sulfones Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Monoalkylamines Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - 4-phenylpyrimidine - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Benzenesulfonyl group - Alkyl aryl ether - Aminopyrimidine - Aralkylamine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Heteroaromatic compound - Sulfone - Amino acid - Azacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Primary amine - 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