Compound Identification
SMILES
[Br-].CCOC(=O)CCNC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1
InChIKey
InChIKey=WSVBXGASCYKVRA-UHFFFAOYSA-N
Formula
C22H27BrN2O4S
Mass
495.43
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 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
O-sulfanylbenzoic acids and derivatives Thiophenol esters Benzamides Aryl thioethers Benzoyl derivatives Fatty acyl thioesters Pyridinium derivatives Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organic bromide salts Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzamide - Thiophenol ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridine - Benzenoid - Pyridinium - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic bromide salt - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic salt - Organopnictogen compound - 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