Compound Identification
SMILES
CCCCCCCCCCCCNC(=O)CCNC1=CC(O)=C(Cl)C=C1SC1=CC=CC=C1
InChIKey
InChIKey=GZTZHOVTOUFKRR-UHFFFAOYSA-N
Formula
C27H39ClN2O2S
Mass
491.13
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
Diarylthioethers m-Aminophenols Thiophenol ethers Aniline and substituted anilines Phenylalkylamines O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Sulfenyl compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Diarylthioether - Aminophenol - M-aminophenol - Aryl thioether - 2-halophenol - 2-chlorophenol - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - Secondary aliphatic/aromatic amine - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Sulfenyl compound - Thioether - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen 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