Compound Identification
SMILES
COC(=O)[C@@H](NC(=O)OCC1=CC=CC=C1)C1=CC(OC2=C(OC)C=CC(=C2)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC2=CC=CC=C2)C(O)=O)=C(C)C(OC)=C1
InChIKey
InChIKey=PWKAAYPFYJJHEK-GDQCAIRTSA-N
Formula
C42H47N3O12
Mass
785.847
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
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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 Alpha amino acid esters N-acyl-alpha amino acids Diphenylethers Alpha amino acid amides Phenylpropanoic acids Diarylethers Phenylacetamides Amphetamines and derivatives Benzyloxycarbonyls Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Dicarboxylic acids and derivatives Methyl esters Carbamate esters Secondary carboxylic acid amides Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid ester - Diphenylether - Alpha-amino acid amide - Diaryl ether - 3-phenylpropanoic-acid - N-substituted-alpha-amino acid - Benzyloxycarbonyl - Phenylacetamide - Amphetamine or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Ether - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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