Compound Identification
SMILES
COC1=CC=C(CN[C@H]([C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)NC(C(C)C)C(=O)NCC2=NC3=CC=CC=C3N2)C=C1
InChIKey
InChIKey=AJSYTPPNIVWKJN-ZWGMGHSWSA-N
Formula
C37H48N6O6
Mass
672.827
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
Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylbutylamines Amphetamines and derivatives Benzimidazoles Anisoles Phenylmethylamines Benzylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aralkylamines N-acyl amines Heteroaromatic compounds Carbamate esters Imidazoles Secondary alcohols Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Phenylbutylamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzimidazole - Phenylmethylamine - Phenol ether - Methoxybenzene - Anisole - Benzylamine - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Fatty acyl - Fatty amide - N-acyl-amine - Benzenoid - Imidazole - Carbamic acid ester - Heteroaromatic compound - Azole - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Secondary amine - Ether - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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