Compound Identification
SMILES
[Br-].C[S+](C)CC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)OCC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=VTJOBOQLXQPCMN-MOGJOVFKSA-N
Formula
C20H27BrN2O8S
Mass
535.41
Taxonomic Classification
Taxonomy Tree
-
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
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Level 5
Peptides
- Level 6 Dipeptides
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Level 5
Peptides
-
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
Peptides
Direct Parent
Dipeptides
Alternative Parents
Aspartic acid and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Benzyloxycarbonyls Medium-chain fatty acids Thia fatty acids Dicarboxylic acids and derivatives N-acyl amines Carbamate esters Secondary carboxylic acid amides Ketones Carboxylic acids Organic bromide salts Organosulfur compounds Organic oxides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-dipeptide - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Medium-chain fatty acid - Thia fatty acid - N-acyl-amine - Benzenoid - Dicarboxylic acid or derivatives - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Fatty amide - Carbamic acid ester - Ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic nitrogen compound - Organic salt - Carbonyl group - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors
Not available