Compound Identification
SMILES
[Na+].[O-]C(=O)C1(CCC(=O)O1)N1OC[C@H](NC(=O)CSC2=NN=C(Cl)C=C2)C1=O
InChIKey
InChIKey=ZNWKNMXHMMJXDD-QNURJZHJSA-M
Formula
C14H12ClN4NaO7S
Mass
438.77
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
-
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
Alkylarylthioethers Pyridazines and derivatives Oxazolidinones Aryl chlorides Dicarboxylic acids and derivatives Gamma butyrolactones Oxolanes Heteroaromatic compounds Isoxazolidines Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acid salts Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic metal halides Carbonyl compounds Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Aryl thioether - Alkylarylthioether - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxazolidinone - Pyridazine - Isoxazolidine - Heteroaromatic compound - Oxolane - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Lactone - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Oxacycle - Carboxylic acid - Organic metal halide - Organic salt - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic zwitterion - Organic sodium salt - 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