Compound Identification
SMILES
CC(=O)SC[C@H]([C@H]1CCC2=C1C=CC(Br)=C2)C(=O)N[C@H](CC1=CNC2=C1C=CC(C)=C2)C(O)=O
InChIKey
InChIKey=XROYQOIJQUZUKZ-WMTXJRDZSA-N
Formula
C26H27BrN2O4S
Mass
543.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
-
Level 7
N-acyl-alpha amino acids and derivatives
- Level 8 N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
-
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-acyl-alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Indolyl carboxylic acids and derivatives 3-alkylindoles Indanes Aryl bromides Substituted pyrroles Heteroaromatic compounds Thioesters Carbothioic S-esters Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha-amino acid - Indolyl carboxylic acid derivative - 3-alkylindole - Indane - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Sulfenyl compound - Azacycle - Thiocarboxylic acid or derivatives - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available