Compound Identification
SMILES
OC(=O)C(CNCC1=CC=CC=N1)C(NCC1=CC=CC=N1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LXKSCCPQWNDOLY-UHFFFAOYSA-N
Formula
C22H23N5O4
Mass
421.457
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Phenylpropanoic acids Nitrobenzenes 2-pyridylmethylamines Nitroaromatic compounds Aralkylamines Heteroaromatic compounds Amino acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Dialkylamines Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Carbonyl compounds Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - 3-phenylpropanoic-acid - Nitrobenzene - 2-pyridylmethylamine - Nitroaromatic compound - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Amino acid - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Amine - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available