Compound Identification
SMILES
COC1=C(CSCC(NC(C)=O)C(O)=O)C(O)=C2C(=O)C(C)=C(OC)C(=O)C2=C1
InChIKey
InChIKey=DGYGIAQKHJSFNM-UHFFFAOYSA-N
Formula
C19H21NO8S
Mass
423.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Naphthoquinones Cysteine and derivatives Quinones Anisoles Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous esters Vinylogous acids Acetamides Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Cysteine or derivatives - Naphthoquinone - Naphthalene - Anisole - Phenol ether - Quinone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Acetamide - Vinylogous ester - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Ketone - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Aromatic homopolycyclic 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