Compound Identification
SMILES
C[C@H](N)C(=S)N[C@@H](COCC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=NSXZYTHWKZBIDC-ONGXEEELSA-N
Formula
C13H18N2O3S
Mass
282.36
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
Benzylethers Thioamides Amino acids Thiocarboxylic acid amides Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Thiocarbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzylether - Monocyclic benzene moiety - Benzenoid - Thioamide - Amino acid - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Thiocarboxylic acid amide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Primary amine - Hydrocarbon derivative - Thiocarbonyl group - Organic oxide - Aromatic homomonocyclic 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