Compound Identification
SMILES
OC1CN(C1)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CC2=C(N1)C=C(Br)S2
InChIKey
InChIKey=DLQZEXINISHYQK-HNNXBMFYSA-N
Formula
C19H18BrN3O3S
Mass
448.34
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
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Amphetamines and derivatives Thienopyrroles 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Pyrrole carboxamides Substituted pyrroles Aryl bromides Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - 2,3,5-trisubstituted thiophene - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Thiophene - Pyrrole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Azetidine - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available