Compound Identification
SMILES
CC(=O)N[C@@H](CSC(=O)C1=CC=CC=C1)C(=O)NCCO[N+]([O-])=O
InChIKey
InChIKey=QDISPXYRFHKSCA-LBPRGKRZSA-N
Formula
C14H17N3O6S
Mass
355.37
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 amides Cysteine and derivatives Thiobenzoic acids and derivatives Benzoic acids and derivatives Benzoyl derivatives Acetamides Alkyl nitrates Thioesters Secondary carboxylic acid amides Carbothioic S-esters Organic nitric acids and derivatives Organic nitro compounds Sulfenyl compounds Carbonyl compounds Organic salts Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Organic nitrate - Alkyl nitrate - Acetamide - Carbothioic s-ester - Carboxamide group - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Organic nitro compound - Organic nitric acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic salt - Aromatic homomonocyclic 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