Compound Identification
SMILES
CC(C)(SCCC1=CC=C(C=C1)[N+]([O-])=O)C(N)C(O)=O
InChIKey
InChIKey=GZOMLRNHBVSRPH-UHFFFAOYSA-N
Formula
C13H18N2O4S
Mass
298.36
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 Valine and derivatives
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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
Direct Parent
Valine and derivatives
Alternative Parents
Alpha amino acids Nitrobenzenes Nitroaromatic compounds Thia fatty acids Amino acids Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Monoalkylamines Carbonyl compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Valine or derivatives - Alpha-amino acid - Nitrobenzene - Nitroaromatic compound - Thia fatty acid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - C-nitro compound - Amino acid - Organic nitro compound - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Primary amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Amine - Primary aliphatic amine - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available