Compound Identification
SMILES
COCCN1C(=O)C(CC2=CC=CC=C12)NC(=O)C1=CC2=C(N1)SC(Cl)=C2
InChIKey
InChIKey=NSXFONUOONAPEK-UHFFFAOYSA-N
Formula
C19H18ClN3O3S
Mass
403.88
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
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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
Hydroquinolones Hydroquinolines Thienopyrroles 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Pyrrole carboxamides Substituted pyrroles Aryl chlorides Benzenoids Heteroaromatic compounds Tertiary carboxylic acid amides Azoles Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Tetrahydroquinolone - Quinolone - Tetrahydroquinoline - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - 2,3,5-trisubstituted thiophene - Substituted pyrrole - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Thiophene - Azole - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic 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