Compound Identification
SMILES
COC(C)(C)CCSC1=NC2=C(S1)C=C(NC(=O)C(CC1=CC=C(F)C=C1)NC(C)=O)C=C2
InChIKey
InChIKey=BAGTXTPIQCVFOB-UHFFFAOYSA-N
Formula
C24H28FN3O3S2
Mass
489.62
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
-
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Benzothiazoles N-arylamides Alkylarylthioethers Fluorobenzenes Fatty amides Aryl fluorides Thiazoles Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 1,3-benzothiazole - Aryl thioether - N-arylamide - Halobenzene - Fluorobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Fatty amide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Azole - Acetamide - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic 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