Compound Identification
SMILES
CCC1=CC=C(S1)C(N1CCCCC1C(O)=O)C1=C(OC)C=CC(Cl)=C1
InChIKey
InChIKey=ONCUYKSBXBMSRN-UHFFFAOYSA-N
Formula
C20H24ClNO3S
Mass
393.93
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
Alpha amino acids and derivatives
- Level 7 Alpha amino acids
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Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acids
Alternative Parents
Piperidinecarboxylic acids Anisoles Phenoxy compounds Methoxybenzenes 2,5-disubstituted thiophenes Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Piperidinecarboxylic acid - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Amino acid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available