Compound Identification
SMILES
CCOC(=O)[C@]12[C@@H](CC(=O)N1C=C(C#N)C21SCCS1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=QDPSVJZSOZPVPN-YJBOKZPZSA-N
Formula
C19H17BrN2O3S2
Mass
465.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Phenylpyrrolidines Pyrrolizines Pyrrolidine carboxylic acids Oxoprolines Bromobenzenes Dithioketals Pyrrolidine-2-ones Aryl bromides Tertiary carboxylic acid amides 1,3-dithiolanes Pyrrolines Pyrroles Tertiary amines Carboxylic acid esters Lactams Nitriles Dialkylthioethers Azacyclic compounds Monocarboxylic acids and derivatives Organobromides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 3-phenylpyrrolidine - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolizine - Bromobenzene - Dithioketal - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - 1,3-dithiolane - Tertiary carboxylic acid amide - Pyrroline - Pyrrolidine - Thioacetal - Pyrrole - Dithiolane - Tertiary amine - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Dialkylthioether - Thioether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Cyanide - Organobromide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - 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