Compound Identification
SMILES
CCOC(=O)C1CCN(CC1)C(=O)CN(C)C1=NC(CC2=CC(OC)=CC=C2)=NS1
InChIKey
InChIKey=IMQASVANHOBOQG-UHFFFAOYSA-N
Formula
C21H28N4O4S
Mass
432.54
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
N-acylpiperidines Piperidinecarboxylic acids Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Heteroaromatic compounds Thiadiazoles Tertiary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - N-acyl-piperidine - Piperidinecarboxylic acid - Anisole - Phenoxy compound - Phenol ether - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Tertiary carboxylic acid amide - Azole - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Amine - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available