Compound Identification
SMILES
CC(N1C=C(C)C(SCC2=CC(=NO2)C2=CC(=CC=C2)[N+]([O-])=O)=NC1=O)C(O)=O
InChIKey
InChIKey=AKLWKLKHKGFQFV-UHFFFAOYSA-N
Formula
C18H16N4O6S
Mass
416.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Pyrimidones Alkylarylthioethers Hydropyrimidines Heteroaromatic compounds Isoxazoles Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available