Compound Identification
SMILES
COC(=O)C(CCCCN1C(C)=C(C=C1C1=CSC(=N1)C1=NC=CN=C1)C(N)=O)NC(C)=O
InChIKey
InChIKey=RWRJJKDKOZRGJB-UHFFFAOYSA-N
Formula
C22H26N6O4S
Mass
470.55
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
Alpha amino acid esters Pyrrole carboxamides 2,4-disubstituted thiazoles Fatty acid esters Substituted pyrroles Pyrazines Vinylogous amides Acetamides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Fatty acyl - Substituted pyrrole - Pyrazine - Acetamide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiazole - Azole - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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