Compound Identification
SMILES
BrC1=CC2=C(SCC[C@@H]2OC(=O)[C@H]2C[C@]3(C[NH2+]2)C(=O)NC2=CC=CC=C32)C=C1
InChIKey
InChIKey=OPUJSFZMYKHRTH-LLGFUMIMSA-O
Formula
C21H20BrN2O3S
Mass
460.37
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
-
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
Beta amino acids and derivatives Thiochromanes 1-benzothiopyrans Indolines Pyrrolidine carboxylic acids Alkylarylthioethers Aralkylamines Thiopyrans Aryl bromides Benzenoids Quaternary ammonium salts Carboxylic acid esters Secondary carboxylic acid amides Lactams Dialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Beta amino acid or derivatives - Thiochromane - 1-benzothiopyran - Benzothiopyran - Indole or derivatives - Dihydroindole - Aryl thioether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Alkylarylthioether - Aryl bromide - Aryl halide - Benzenoid - Thiopyran - Pyrrolidine - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Secondary amine - Thioether - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic 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