Compound Identification
SMILES
COC(=O)[C@@H](N)CC1=CC=C(C=C1)C1=C(OC)C=NN(C)C1=O
InChIKey
InChIKey=PNFJKDUEWPDKMS-LBPRGKRZSA-N
Formula
C16H19N3O4
Mass
317.345
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
Alpha amino acid esters Phenylpyridazines Amphetamines and derivatives Pyridazinones Alkyl aryl ethers Aralkylamines Fatty acid esters Vinylogous esters Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Alpha-amino acid ester - Phenylpyridazine - Amphetamine or derivatives - Alkyl aryl ether - Pyridazinone - Fatty acid ester - Aralkylamine - Pyridazine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Vinylogous ester - Heteroaromatic compound - Methyl ester - Lactam - Carboxylic acid ester - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen 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