Compound Identification
SMILES
CCC[C@H](NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)CC1CCCCC1)C(C)(C)C)CC(=NO2)C1=CC(Cl)=CC=C1)C(=O)C(=O)NCCC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=QCTJXRLHUBNXQZ-SMLTZBDHSA-N
Formula
C42H54ClN5O8
Mass
792.37
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
-
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 Benzodioxoles Pyrrolidinecarboxamides N-acylpyrrolidines Chlorobenzenes Aryl chlorides N-acyl amines Tertiary carboxylic acid amides Isoxazolines Secondary carboxylic acid amides Ketones Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Aldehydes Organonitrogen compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzodioxole - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Halobenzene - Chlorobenzene - Fatty acyl - Fatty amide - Benzenoid - N-acyl-amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Isoxazoline - Carboxamide group - Secondary carboxylic acid amide - Ketone - Organoheterocyclic compound - Azacycle - Acetal - Oxacycle - Organic nitrogen compound - Organooxygen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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