Compound Identification
SMILES
COC1(NC(=O)C(C(O)=O)C2=CC=C(O)C=C2)C2CCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=CQGRBYPPXNKLAK-UHFFFAOYSA-N
Formula
C21H22N6O8S
Mass
518.5
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
Phenylacetamides Tetrahydropyridines 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Beta lactams Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Azacyclic compounds Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Phenylacetamide - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Tetrahydropyridine - Alkylarylthioether - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Azole - Beta-lactam - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Carboxamide group - Lactam - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Azetidine - Azacycle - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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