Compound Identification
SMILES
CCOC(=O)CCNC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1
InChIKey
InChIKey=ADRZKSYCXPNXBJ-UHFFFAOYSA-O
Formula
C22H27N2O4S
Mass
415.53
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 Organopnictogen compounds Hydrocarbon derivatives Organic cations
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 - Pyridinium - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Thiocarboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carbothioic s-ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Organic cation - 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