Compound Identification
SMILES
COC1=CC=C(CCNC(=O)C(O)[C@H](N)CCSC)C=C1
InChIKey
InChIKey=XZKDNZNWHYYWCJ-KWCCSABGSA-N
Formula
C15H24N2O3S
Mass
312.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Dialkylthioethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Monosaccharide - N-acyl-amine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Dialkylthioether - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available