Compound Identification
SMILES
NC1=NC(N)=C2C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=CSC2=N1
InChIKey
InChIKey=VGMGHRCCLBCWSA-LBPRGKRZSA-N
Formula
C19H20N6O5S
Mass
444.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Glutamic acid 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
Glutamic acid and derivatives
Alternative Parents
Hippuric acids N-acyl-alpha amino acids Aminobenzamides Thienopyrimidines Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Thiophenes Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Thienopyrimidine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aminopyrimidine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Imidolactam - Benzenoid - Pyrimidine - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Secondary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary amine - Organic oxide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic 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