Compound Identification
SMILES
CC(O)=O.NC(N)=NC1=CC=C(C=C1)C(=O)OCC(=O)NC(CC1=CC=CC=C1)C(N)=O
InChIKey
InChIKey=PRFGZXHJTWHNSM-UHFFFAOYSA-N
Formula
C21H25N5O6
Mass
443.46
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-alpha amino acids and derivatives Guanidinobenzoic acids and derivatives Amphetamines and derivatives Benzoic acid esters Benzoyl derivatives Fatty amides Secondary carboxylic acid amides Primary carboxylic acid amides Carboxylic acid esters Guanidines Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenylalanine or derivatives - Guanidinobenzoic acid or derivatives - N-acyl-alpha amino acid or derivatives - Amphetamine or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Carboxamide group - Carboxylic acid ester - Guanidine - Secondary carboxylic acid amide - Primary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - 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