Compound Identification
SMILES
CN(CC1=CC2=C(C=C1)N=C(N)N=C2N)C1=CC=C(C=C1)C(=O)NC(CC(O)=O)C(O)=O
InChIKey
InChIKey=BCRRGTYNGUFJNQ-UHFFFAOYSA-N
Formula
C21H22N6O5
Mass
438.444
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 Aspartic acid 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
Aspartic acid and derivatives
Alternative Parents
N-acyl-alpha amino acids Hippuric acids Quinazolinamines Aminobenzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Hippuric acid - Quinazolinamine - Aminobenzamide - Aminobenzoic acid or derivatives - Quinazoline - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Imidolactam - Benzenoid - Pyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Primary amine - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available