Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NN=C(NC(=O)C(NC(=O)NC2=CC=C(Cl)C=C2)C(C)C)S1
InChIKey
InChIKey=YORQCVBKWFYKBQ-UHFFFAOYSA-N
Formula
C21H22ClN5O3S
Mass
459.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- 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-carbamoyl-alpha amino acids and derivatives
Alternative Parents
Valine and derivatives Alpha amino acid amides N-phenylureas Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Chlorobenzenes Alkyl aryl ethers N-acyl amines Thiadiazoles Heteroaromatic compounds Organic carbonic acids and derivatives Vinyl chlorides Sulfenyl compounds Chloroalkenes Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Valine or derivatives - N-carbamoyl-alpha-amino acid or derivatives - Alpha-amino acid amide - N-phenylurea - Phenoxy compound - Methoxybenzene - N-arylamide - Phenol ether - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Azole - Carbonic acid derivative - Carboxamide group - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Sulfenyl compound - Vinyl halide - Vinyl chloride - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors
Not available