Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)CNCC1=CC(F)=CC=C1)C(C)(C)C)S(=O)(=O)C1=CC=CC(N)=C1
InChIKey
InChIKey=BHZQYOKTNFVDMK-IHTTUQTDSA-N
Formula
C42H56FN5O8S2
Mass
842.06
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 p-Methylbenzenesulfonates Aminobenzenesulfonamides Phenylbutylamines Tosyl compounds Amphetamines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenylmethylamines Aniline and substituted anilines Benzylamines Aralkylamines Fluorobenzenes Organosulfonamides Aryl fluorides N-acyl amines Organosulfonic acids Aminosulfonyl compounds Secondary alcohols Secondary carboxylic acid amides Dialkylamines Primary amines Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Aminobenzenesulfonamide - P-methylbenzenesulfonate - Phenylbutylamine - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzenesulfonamide - Tosyl compound - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - Fluorobenzene - Halobenzene - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Fatty acyl - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid - Organosulfonic acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Secondary aliphatic amine - Organofluoride - Organic nitrogen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Organic oxygen compound - Primary amine - Organohalogen 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