Compound Identification
SMILES
COC1=NC(=NC(OC2=C(C=C)C=C(C=C2)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC2=CC=C(C=C2)C(=O)NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)=C1)C1=CC=CC=C1
InChIKey
InChIKey=AGYXNIZUKMKCDV-QPPIDDCLSA-N
Formula
C46H47F3N6O9S
Mass
916.97
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
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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 Acylaminobenzoic acid and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Diarylethers Trifluoromethylbenzenes Phenylacetamides Benzenesulfonamides Anilides Benzenesulfonyl compounds Styrenes Phenoxy compounds Phenol ethers Benzoyl derivatives N-arylamides Alkyl aryl ethers Pyrimidines and pyrimidine derivatives N-acyl amines Heteroaromatic compounds Organosulfonic acids and derivatives Carbamate esters Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Acylaminobenzoic acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Diaryl ether - Trifluoromethylbenzene - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Anilide - Phenoxy compound - Benzoyl - Phenol ether - Styrene - N-arylamide - Alkyl aryl ether - Pyrimidine - Fatty amide - N-acyl-amine - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Carbamic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organofluoride - Organohalogen compound - 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