Compound Identification
SMILES
CC(C)[C@H](NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C1=CC(=C(Cl)C=C1)S(=O)(=O)NC(=O)CSC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F
InChIKey
InChIKey=SQEKFRREQBQUKS-KJVHTFDESA-N
Formula
C50H63ClF3N5O11S3
Mass
1098.7
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 Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides 4-halobenzoic acids and derivatives Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Indoles and derivatives Thiophenol ethers Pyrrolidinecarboxamides Benzoyl derivatives N-acylpyrrolidines Alkylarylthioethers Phenols Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Organosulfonic acids and derivatives Aminosulfonyl compounds Alpha-haloketones Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organonitrogen compounds Alkyl fluorides Organofluorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzamide - Phenylpropane - Benzenesulfonyl group - Indole or derivatives - Benzoic acid or derivatives - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Thiophenol ether - Aryl thioether - Pyrrolidine-2-carboxamide - Benzoyl - Chlorobenzene - Halobenzene - Alkylarylthioether - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha-haloketone - Secondary carboxylic acid amide - Carboxamide group - Ketone - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organofluoride - Organonitrogen compound - Alkyl fluoride - Alkyl halide - Organosulfur compound - Organooxygen 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