Compound Identification
SMILES
C[C@@H](O)[C@@H]1C2SC(OC3=CC=C(C=C3)C#N)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=RRIASPSLXVPUGZ-YNYLGKETSA-N
Formula
C15H12N2O5S
Mass
332.33
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Thiazolecarboxylic acids and derivatives Phenoxy compounds Penems Benzonitriles Vinylogous thioesters Vinylogous esters Thiazolines Tertiary carboxylic acid amides Monothioacetals Secondary alcohols Azetidines Thiohemiaminal derivatives Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenoxy compound - Benzonitrile - Penem - Thiazolecarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Beta-lactam - Monothioacetal - Tertiary carboxylic acid amide - Vinylogous ester - Thiazole - Meta-thiazoline - Azetidine - Carboxamide group - Lactam - Secondary alcohol - Hemithioaminal - Organoheterocyclic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organopnictogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available