Compound Identification
SMILES
N[C@@H](CC1=CC(CSC2=NNC(=N2)C2=CC=CC=C2)=CC=C1)C(O)=O
InChIKey
InChIKey=WTXCFXDULPHCRY-HNNXBMFYSA-N
Formula
C18H18N4O2S
Mass
354.43
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
-
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 Phenyl-1,2,4-triazoles L-alpha-amino acids Amphetamines and derivatives Alkylarylthioethers Aralkylamines Heteroaromatic compounds Amino acids Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Aryl thioether - Alkylarylthioether - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Azole - Triazole - 1,2,4-triazole - Heteroaromatic compound - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - 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