Compound Identification
SMILES
CCOC(=O)C(CSC1=C(C)C(=O)C2=CC=CC=C2C1=O)NC(C)=O
InChIKey
InChIKey=BQTYXNXKFQDMOR-UHFFFAOYSA-N
Formula
C18H19NO5S
Mass
361.41
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
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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
Alpha amino acid esters Naphthoquinones Cysteine and derivatives Quinones Aryl ketones Vinylogous thioesters Acetamides Thioenol ethers Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Cysteine or derivatives - Naphthoquinone - Naphthalene - Quinone - Aryl ketone - Vinylogous thioester - Benzenoid - Acetamide - Thioenolether - Secondary carboxylic acid amide - Ketone - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Sulfenyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic 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