Compound Identification
SMILES
NC(CC1=CC=CC(=C1)C1=CC(SC2=NC3=C(S2)C=CC(=C3)[N+]([O-])=O)=CC=C1)C(O)=O
InChIKey
InChIKey=PQOYZKYYUISQED-UHFFFAOYSA-N
Formula
C22H17N3O4S2
Mass
451.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
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
Biphenyls and derivatives Diarylthioethers Phenylpropanoic acids Amphetamines and derivatives Alpha amino acids Benzothiazoles Thiophenol ethers Nitroaromatic compounds Aralkylamines Heteroaromatic compounds Thiazoles Amino acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Biphenyl - 3-phenylpropanoic-acid - Diarylthioether - Alpha-amino acid - Amphetamine or derivatives - 1,3-benzothiazole - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - C-nitro compound - Amino acid - Organic nitro compound - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Thioether - Monocarboxylic acid or derivatives - Organic oxoazanium - Carboxylic acid - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Primary amine - Organic oxide - Organic zwitterion - Organic salt - Organic oxygen compound - Amine - 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