Compound Identification
SMILES
COC1=CC=C(CC(NC(=O)C2CC(CN2C(=O)C2=NC=CN=C2)NC(=O)C2=NC=CN=C2)C(N)=O)C=C1
InChIKey
InChIKey=PTHCJBBZZPPDFL-UHFFFAOYSA-N
Formula
C25H26N8O5
Mass
518.534
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 N-acyl-alpha amino acids and derivatives Proline and derivatives Alpha amino acid amides Amphetamines and derivatives Pyrazinecarboxamides Pyrrolidinecarboxamides Anisoles Methoxybenzenes 2-heteroaryl carboxamides N-acylpyrrolidines Phenoxy compounds Alkyl aryl ethers Fatty amides Heteroaromatic compounds Tertiary carboxylic acid amides Primary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Phenoxy compound - N-acylpyrrolidine - Phenol ether - 2-heteroaryl carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrazine - Benzenoid - Fatty acyl - Fatty amide - Heteroaromatic compound - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxide - 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