Compound Identification
SMILES
[Na+].[Na+].CO[C@]1(NC(=O)C(C([O-])=O)C2=CC=C(O)C=C2)C2OCC(CSC3=NN=NN3C)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=GRIXGZQULWMCLU-PJDRSYKOSA-L
Formula
C20H18N6Na2O9S
Mass
564.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
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
Phenylacetamides Oxacephems 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Carboxylic acids Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organic zwitterions Hydrocarbon derivatives Organic oxides Organic sodium salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Phenylacetamide - Oxacephem - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Azole - Beta-lactam - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Azetidine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Carboxylic acid salt - Lactam - Organoheterocyclic compound - Oxacycle - Organic alkali metal salt - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid - Organic sodium salt - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Amine - 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