Compound Identification
SMILES
[Na+].CS(=O)C1=CC=C(OC2=C(N3C(CC3=O)S2)C([O-])=O)C=C1
InChIKey
InChIKey=UMJUSKBIIBYNGD-UHFFFAOYSA-M
Formula
C13H10NNaO5S2
Mass
347.33
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
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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
Phenyl sulfoxides Penems Phenoxy compounds Thiazolecarboxylic acids and derivatives Vinylogous thioesters Tertiary carboxylic acid amides Monothioacetals Thiazolines Vinylogous esters Sulfoxides Azetidines Carboxylic acid salts Carboxylic acids Sulfinyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Phenyl sulfoxide - Phenoxy compound - Penem - Thiazolecarboxylic acid or derivatives - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Beta-lactam - Monothioacetal - Tertiary carboxylic acid amide - Thiazole - Vinylogous ester - Meta-thiazoline - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Sulfoxide - Sulfinyl compound - Organic alkali metal salt - Hemithioaminal - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic sodium salt - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic salt - Organic cation - 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