Compound Identification
SMILES
CC(C)CC(CNC(=O)OCOC(=O)C1=CC=CC=C1CO[N+]([O-])=O)CC(O)=O
InChIKey
InChIKey=ZQIIEBOMZDRXHG-UHFFFAOYSA-N
Formula
C18H24N2O9
Mass
412.395
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
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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
Gamma amino acids and derivatives
Alternative Parents
Benzoic acid esters Nitro fatty acids Benzoyl derivatives Medium-chain fatty acids Branched fatty acids Dicarboxylic acids and derivatives Alkyl nitrates Carbamate esters Organic nitro compounds Carboxylic acid esters Organic nitric acids and derivatives Carboxylic acids Acetals Organopnictogen compounds Carbonyl compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Gamma amino acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Nitro fatty acid - Benzoyl - Medium-chain fatty acid - Branched fatty acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Alkyl nitrate - Organic nitrate - Carbamic acid ester - Carboxylic acid ester - Organic nitro compound - Organic nitric acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Acetal - Organic nitrogen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors
Not available