Compound Identification
SMILES
CC(C)OC(=O)C[C@H](NC(=O)CSC1=CC2=C(OCCO2)C=C1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=XBNUCNKAGZTVDO-KRWDZBQOSA-N
Formula
C22H24N2O7S
Mass
460.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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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
Benzo-1,4-dioxanes Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkyl aryl ethers Alkylarylthioethers Fatty acid esters Para dioxins Secondary carboxylic acid amides Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzodioxane - Benzo-1,4-dioxane - Nitrobenzene - Nitroaromatic compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Fatty acid ester - Fatty acyl - Benzenoid - Para-dioxin - Monocyclic benzene moiety - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Organic oxygen compound - Aromatic heteropolycyclic 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