Compound Identification
SMILES
CC1=CC(SCCC[C@H](N)C(O)=O)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=CBTXALVVNCZYTJ-VIFPVBQESA-N
Formula
C12H16N2O4S
Mass
284.33
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
Alpha amino acids
- Level 8 L-alpha-amino acids
-
Level 7
Alpha amino acids
-
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 - Alpha amino acids
Direct Parent
L-alpha-amino acids
Alternative Parents
Nitrotoluenes Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
L-alpha-amino acid - Nitrobenzene - Nitrotoluene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Amino acid - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Thioether - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Amine - Organic salt - Primary aliphatic amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
External Descriptors
Not available