Compound Identification
SMILES
N[C@@H](CC1=CC=CC=C1)C(O)=O.CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(O)=O
InChIKey
InChIKey=JKTUESKFMDKMEI-WXHNTULZSA-N
Formula
C21H33N3O6S
Mass
455.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
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
Phenylalanine and derivatives Leucine and derivatives Methionine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides N-formyl-alpha amino acids Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Aralkylamines Methyl-branched fatty acids N-acyl amines Amino acids Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - Methionine or derivatives - Leucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-formyl-alpha-amino acid - 3-phenylpropanoic-acid - Amphetamine or derivatives - L-alpha-amino acid - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Methyl-branched fatty acid - Aralkylamine - Branched fatty acid - N-acyl-amine - Fatty amide - Benzenoid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Primary aliphatic amine - Primary amine - Amine - Organic oxide - 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