Compound Identification
SMILES
BrC1=CC=CC(C=C2SC(=S)N(CC(=O)NCCC[NH+]3CCOCC3)C2=O)=C1
InChIKey
InChIKey=XKTAASHQHVEQLB-UHFFFAOYSA-O
Formula
C19H23BrN3O3S2
Mass
485.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Alpha amino acids and derivatives
Alternative Parents
Bromobenzenes Thiazolidinethiones Aryl bromides Morpholines Quaternary ammonium salts Cyclic dithiocarbamic acid esters Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organosulfur compounds Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Halobenzene - Bromobenzene - Oxazinane - Thiazolidinethione - Morpholine - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Cyclic dithiocarbamic acid ester - Dithiocarbamic acid ester - Thiazolidine - Quaternary ammonium salt - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available