Compound Identification
SMILES
CC(=O)N[C@@H](CSC1=C(Cl)C=C(C=C1)[N+]([O-])=O)C(O)=O
InChIKey
InChIKey=DGTXBKWEIIAZCI-VIFPVBQESA-N
Formula
C11H11ClN2O5S
Mass
318.73
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
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Level 8
N-acyl-alpha amino acids
- Level 9 N-acyl-L-alpha-amino acids
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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 - N-acyl-alpha amino acids
Direct Parent
N-acyl-L-alpha-amino acids
Alternative Parents
Cysteine and derivatives Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Chlorobenzenes Aryl chlorides Acetamides Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Carboxylic acids Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-l-alpha-amino acid - Cysteine or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acetamide - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
External Descriptors
Not available