Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=NNC(=O)C2CCSCN12
InChIKey
InChIKey=SIPXKCJHDXUBEP-UHFFFAOYSA-N
Formula
C12H12N4O3S
Mass
292.31
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
Nitrobenzenes Nitroaromatic compounds 1,2,4-triazines Thiazinanes Imidolactams Amidrazones Thiohemiaminal derivatives Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Organic oxoazanium compounds Amines Hydrocarbon derivatives Organic zwitterions Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - 1,2,4-triazine - 1,3-thiazinane - Imidolactam - Triazine - Benzenoid - Carboxylic acid amidrazone - C-nitro compound - Organic nitro compound - Amidine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Hemithioaminal - Dialkylthioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Organic salt - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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