Compound Identification
SMILES
CCOC(=O)CNC(=O)N1CCC2(CC1)SCCN2C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=SWBGATYWXLHVSV-UHFFFAOYSA-N
Formula
C19H24BrN3O4S
Mass
470.38
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
-
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 - N-carbamoyl-alpha amino acids and derivatives
Direct Parent
N-carbamoyl-alpha amino acids
Alternative Parents
Alpha amino acid esters 4-halobenzoic acids and derivatives Azaspirodecane derivatives Piperidinecarboxamides Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Thiazolidines Tertiary carboxylic acid amides Ureas Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - N-carbamoyl-alpha-amino acid - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Azaspirodecane - Piperidinecarboxamide - 1-piperidinecarboxamide - Benzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Piperidine - Benzenoid - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Urea - Carbonic acid derivative - Carboxamide group - Carboxylic acid ester - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-carbamoyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an carbamoyl group at its terminal nitrogen atom.
External Descriptors
Not available