Compound Identification
SMILES
NC1=NC2=NC=C(CN3CCSC4=C3C=CC(=C4)C(=O)N[C@H](CCCC(O)=O)C(O)=O)N=C2C(N)=N1
InChIKey
InChIKey=WEEYASWRWODDTJ-CYBMUJFWSA-N
Formula
C22H24N8O5S
Mass
512.55
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
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
-
Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Pteridines and derivatives Benzothiazines Medium-chain fatty acids Dialkylarylamines Alkylarylthioethers Aminopyrimidines and derivatives Aralkylamines Heterocyclic fatty acids 1,4-thiazines Pyrazines Benzenoids Imidolactams Dicarboxylic acids and derivatives Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Benzothiazine - Pteridine - Aryl thioether - Tertiary aliphatic/aromatic amine - Medium-chain fatty acid - Dialkylarylamine - Aminopyrimidine - Heterocyclic fatty acid - Alkylarylthioether - Aralkylamine - Para-thiazine - Dicarboxylic acid or derivatives - Pyrazine - Pyrimidine - Benzenoid - Fatty acyl - Imidolactam - Fatty acid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid - Carboxylic acid - Organoheterocyclic compound - Azacycle - Thioether - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available