Compound Identification
SMILES
CC(CC(=O)N1CCC[C@H]1C(=O)OC1=CC=CC(CO[N+]([O-])=O)=C1)SC(C)=O
InChIKey
InChIKey=WHNRFLQSMRVXRM-INSVYWFGSA-N
Formula
C18H22N2O7S
Mass
410.44
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
Alpha amino acid esters Proline and derivatives Phenol esters Pyrrolidine carboxylic acids Phenoxy compounds N-acylpyrrolidines Alkyl nitrates Tertiary carboxylic acid amides Thioesters Carbothioic S-esters Carboxylic acid esters Organic nitric acids and derivatives Organic nitro compounds Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - N-acyl-alpha-amino acid - Proline or derivatives - Phenol ester - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenoxy compound - N-acylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Alkyl nitrate - Tertiary carboxylic acid amide - Organic nitrate - Pyrrolidine - Carbothioic s-ester - Organic nitric acid or derivatives - Thiocarboxylic acid ester - Organic nitro compound - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carbonyl group - Organic salt - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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