Compound Identification
SMILES
[Na+].OC(=O)C1=C(CSC2C(N=C([O-])CN3C=NN=N3)C(=O)N12)SC1=NN=CS1
InChIKey
InChIKey=XKEKQAUMLMSIME-UHFFFAOYSA-M
Formula
C12H9N8NaO4S3
Mass
448.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Cephems Aryl thioethers Vinylogous thioesters 1,3-thiazines Thiadiazoles Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic sodium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Cephem - Aryl thioether - Meta-thiazine - Vinylogous thioester - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Thiadiazole - Azetidine - Carboxamide group - Lactam - Thioenolether - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Thioether - Hemithioaminal - Sulfenyl compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic sodium salt - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic zwitterion - 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