Compound Identification
SMILES
N[C@H](CC1=CC=CC=C1)C(=O)NC1=C(SC=C1)C1=NC(=O)C(O)=C(N1)C(O)=O
InChIKey
InChIKey=WXXFASSMFPCWKS-SNVBAGLBSA-N
Formula
C18H16N4O5S
Mass
400.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Alpha amino acid amides Amphetamines and derivatives Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids N-arylamides Pyrimidones Hydroxypyrimidines Aralkylamines Fatty amides Thiophenes Vinylogous amides Vinylogous acids Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Monoalkylamines Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - N-arylamide - Hydroxypyrimidine - Pyrimidone - Aralkylamine - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - 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