Compound Identification
SMILES
CC(C)COC(=O)SC1=C(C=C(Cl)C=C1)C(=O)NCCC(N)=O
InChIKey
InChIKey=ZQSMOIXQWUDFQQ-UHFFFAOYSA-N
Formula
C15H19ClN2O4S
Mass
358.84
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
- 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
3-halobenzoic acids and derivatives O-sulfanylbenzoic acids and derivatives Benzamides Aryl thioethers Benzoyl derivatives Chlorobenzenes Aryl chlorides Monothioacetals Organic thiocarbonic acid derivatives Organic carbonic acids and derivatives Primary carboxylic acid amides Secondary carboxylic acid amides Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monothioacetal - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Carbonic acid derivative - Thiocarbonic acid derivative - Sulfenyl compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organic oxide - Organochloride - 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