Compound Identification
SMILES
CC(C)C(N)C1=NC(=CO1)C(=O)NC1CCSC1=O
InChIKey
InChIKey=GABJPNJEQPCTOF-UHFFFAOYSA-N
Formula
C12H17N3O3S
Mass
283.35
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
2-heteroaryl carboxamides Aralkylamines 2,4-disubstituted oxazoles Thiolanes Heteroaromatic compounds Carbothioic S-lactones Thiolactones Thioesters Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Aralkylamine - Azole - Oxazole - Heteroaromatic compound - Thiolane - Carbothioic s-lactone - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Thiolactone - Thiocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - 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