Compound Identification
SMILES
[Na+].CO\N=C(\C([O-])=N[C@H]1[C@H]2CCC(C3=CSC(=N3)C3=CC=CO3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=JHQUTBWLBIJVNK-GCMNOBNSSA-M
Formula
C21H17N6NaO6S2
Mass
536.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Tetrahydropyridines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Beta lactams Furans Heteroaromatic compounds Amino acids Azetidines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carboximidic acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Tetrahydropyridine - 1,3-thiazol-2-amine - Azole - Beta-lactam - Furan - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Amino acid - Azetidine - Carboxamide group - Lactam - Oxacycle - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic alkali metal salt - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic sodium salt - Amine - 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