Compound Identification
SMILES
CC(=O)NC(CSC(=O)OC1=CC=CC=C1C(=O)OCC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=CEFKPZDGQXWXES-UHFFFAOYSA-N
Formula
C20H19NO7S
Mass
417.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Cysteine and derivatives Benzoic acid esters Benzyloxycarbonyls Phenoxy compounds Benzoyl derivatives Acetamides Monothioacetals Secondary carboxylic acid amides Organic thiocarbonic acid derivatives Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha-amino acid - Cysteine or derivatives - Benzoate ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Monocyclic benzene moiety - Benzenoid - Acetamide - Monothioacetal - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thiocarbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Sulfenyl compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available