Compound Identification
SMILES
CCCOC1=CC=C(C=C1)C(CC(O)=O)NC(=O)C1=C(Cl)C2=CC=CC=C2S1
InChIKey
InChIKey=RNRQDNIUQFKRIJ-UHFFFAOYSA-N
Formula
C21H20ClNO4S
Mass
417.9
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
Phenylpropanoic acids 1-benzothiophenes Thiophene carboxamides Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Beta amino acid or derivatives - Benzothiophene - 1-benzothiophene - Phenol ether - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Phenoxy compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Vinylogous halide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organoheterocyclic compound - Organochloride - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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