Compound Identification
SMILES
[Na+].C[C@@H](NC(=O)[C@@H](O)[C@H]1[C@@H]2N([C@@H](C([O-])=O)C(C)(C)S2(=O)=O)C1=O)C1=CC=CC=C1
InChIKey
InChIKey=DFDBTKAGVUYKSR-DFCMBRMOSA-M
Formula
C18H21N2NaO7S
Mass
432.42
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
Penams Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Sulfones Azetidines Secondary carboxylic acid amides Carboxylic acid salts Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organonitrogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Sulfone - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid salt - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organic oxide - Organonitrogen compound - Alcohol - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic sodium 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