Compound Identification
SMILES
BrC1=CC=CC=C1C(=O)N[C@H]1CCSC1=O
InChIKey
InChIKey=ALQYJGGORPFGQJ-VIFPVBQESA-N
Formula
C11H10BrNO2S
Mass
300.17
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
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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
2-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous halides Thiolanes Carbothioic S-lactones Thiolactones Thioesters Secondary carboxylic acid amides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Carbothioic s-lactone - Thiolane - Thiolactone - Carboxamide group - Thiocarboxylic acid ester - Secondary carboxylic acid amide - Thiocarboxylic acid or derivatives - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic 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