Compound Identification
SMILES
COC1=CC=CC(OC)=C1CNC(=O)CNC(=O)C1=CN2C(SC3=CC=CC=C23)=N1
InChIKey
InChIKey=INPRHKMVCZMARP-UHFFFAOYSA-N
Formula
C21H20N4O4S
Mass
424.48
Taxonomic Classification
Taxonomy Tree
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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
Alpha amino acid amides Dimethoxybenzenes Benzothiazoles Phenoxy compounds 2-heteroaryl carboxamides Anisoles Alkyl aryl ethers Carbonylimidazoles N-substituted imidazoles Vinylogous amides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Dimethoxybenzene - M-dimethoxybenzene - 1,3-benzothiazole - 2-heteroaryl carboxamide - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Imidazole-4-carbonyl group - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Vinylogous amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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