Compound Identification
SMILES
O[C@@H]1CO[C@](O)(CNCCCC[C@@H](NC(=O)CNC(=O)C2=CC=CC=C2)C(O)=O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=DJDWCZDCENIWRI-WEAZEUSYSA-N
Formula
C21H31N3O9
Mass
469.491
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
N-acyl-alpha amino acids Hippuric acids and derivatives Alpha amino acid amides Benzoyl derivatives Hydroxy fatty acids Heterocyclic fatty acids Branched fatty acids Oxanes N-acyl amines Monosaccharides Hemiketals Secondary alcohols Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzoic acid or derivatives - Benzamide - Benzoyl - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Fatty acyl - Benzenoid - Oxane - N-acyl-amine - Monosaccharide - Hemiketal - Monocyclic benzene moiety - Amino acid - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Oxacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic 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