Compound Identification
SMILES
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C1=CC(Br)=C(C)C=C1)C2=O)C(O)=O
InChIKey
InChIKey=PUCMYBMTUFAQTM-UHFFFAOYSA-N
Formula
C18H17BrN2O6S
Mass
469.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
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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
3-halobenzoic acids and derivatives p-Toluamides Benzamides Cephems Benzoyl derivatives Bromobenzenes 1,3-thiazines Aryl bromides Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - P-toluamide - Toluamide - Cephem - Benzoyl - Bromobenzene - Halobenzene - Toluene - Meta-thiazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Beta-lactam - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azetidine - Lactam - Organoheterocyclic compound - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid - Thioether - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organobromide - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen 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