Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CN(C)CCN1C(=S)SC(C)(C)C(NC(=O)C2=CC=C(Cl)C=C2)C1=O
InChIKey
InChIKey=QGOHQVVWIFPEJU-UHFFFAOYSA-N
Formula
C24H30ClN3O5S3
Mass
572.15
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
-
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
N-acyl-alpha amino acids and derivatives
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds 4-halobenzoic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzamides Benzenesulfonyl compounds Benzoyl derivatives Thiazinanethiones Chlorobenzenes Aryl chlorides Sulfonyls Organosulfonic acids Cyclic dithiocarbamic acid esters Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
N-acyl-alpha amino acid or derivatives - P-methylbenzenesulfonate - Benzenesulfonate - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tosyl compound - Arylsulfonic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Chlorobenzene - Halobenzene - 1,3-thiazinanethione - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - 1,3-thiazinane - Benzenoid - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organosulfur compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available