Compound Identification
SMILES
NC1=CC=C(CC(=O)N[C@@H]([C@H](O)C2=CC=CC=C2)C([O-])=O)C=C1
InChIKey
InChIKey=XPSLRJWOKDUUKO-JKSUJKDBSA-M
Formula
C17H17N2O4
Mass
313.334
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
-
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-L-alpha-amino acids Phenylpropanoic acids Phenylacetamides Aniline and substituted anilines Beta hydroxy acids and derivatives Secondary carboxylic acid amides Secondary alcohols Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Primary amines Carbonyl compounds Aromatic alcohols Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - 3-phenylpropanoic-acid - Phenylacetamide - Aniline or substituted anilines - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid salt - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Amine - Primary amine - Aromatic alcohol - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic anion - Aromatic homomonocyclic 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