Compound Identification
SMILES
CCOC(=O)C1=CN=C(NC1=O)SCC1=CC=CC(CC(N)C(O)=O)=N1
InChIKey
InChIKey=VPVPJFBZLADGKU-UHFFFAOYSA-N
Formula
C16H18N4O5S
Mass
378.4
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 Alpha amino acids
-
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
Alpha amino acids
Alternative Parents
Pyrimidinecarboxylic acids Pyrimidones Alkylarylthioethers Aralkylamines Pyridines and derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Amino acids Lactams Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - Aralkylamine - Hydropyrimidine - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Carbonyl group - Amine - Organosulfur compound - Primary amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available