Compound Identification
SMILES
C[NH+](C)CCOC(=O)CN1C(=S)SC(=CC2=CC(Br)=CC=C2)C1=O
InChIKey
InChIKey=DHMFYJBTGQPFJI-UHFFFAOYSA-O
Formula
C16H18BrN2O3S2
Mass
430.35
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
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Bromobenzenes Thiazolidinethiones Aryl bromides Quaternary ammonium salts Cyclic dithiocarbamic acid esters Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Halobenzene - Bromobenzene - Thiazolidinethione - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Aryl halide - Cyclic dithiocarbamic acid ester - Thiazolidine - Dithiocarbamic acid ester - Quaternary ammonium salt - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Amine - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available