Compound Identification
SMILES
[Na+].CN(C(=O)[C@@H](O)[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C([O-])=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=NIRHLIZXJVDTFM-PZMVXTJNSA-M
Formula
C17H19N2NaO6S
Mass
402.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
Anilides Penams 1-hydroxy-2-unsubstituted benzenoids Thiazolidines Tertiary carboxylic acid amides Secondary alcohols Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Anilide - Penam - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Thioether - Dialkylthioether - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Hemithioaminal - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic sodium salt - Organonitrogen compound - Alcohol - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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