Compound Identification
SMILES
CC1=C(SC=N1)C1=CC=C(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)C(NC(=O)COCCOCCOCCOC2=CC=C(C=C2)C2=CC3=C(C=C2)N=CN=C3NC2=CC(Cl)=C(OCC3=CC(F)=CC=C3)C=C2)C(C)(C)C)C=C1
InChIKey
InChIKey=XZNORRXEBCTXPB-BZHVMAIXSA-N
Formula
C57H61ClFN7O9S
Mass
1074.66
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
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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 Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Quinazolinamines Pyrrolidinecarboxamides Phenoxy compounds Phenol ethers N-acylpyrrolidines Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers 4,5-disubstituted thiazoles Imidolactams Aryl fluorides Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Secondary amines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Valine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Quinazolinamine - Diazanaphthalene - Quinazoline - Alpha-amino acid or derivatives - Phenoxy compound - Aniline or substituted anilines - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenol ether - N-acylpyrrolidine - Halobenzene - Fluorobenzene - Chlorobenzene - Aminopyrimidine - Alkyl aryl ether - 4,5-disubstituted 1,3-thiazole - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Azole - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alcohol - 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