Compound Identification
SMILES
C[C@H](CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O.OCC(=O)N1CCC(CC1)C1=C(C(=NN1)C1=CC=C(Cl)C=C1)C1=NC=NC=C1
InChIKey
InChIKey=QMOJGRRAEXXNBO-CAESGJHYSA-N
Formula
C40H46ClN7O7S
Mass
804.36
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
Phenylalanine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Alpha amino acid amides Phenylpyrazoles Phenylpropanoic acids Amphetamines and derivatives N-acylpiperidines Pyrrolidinecarboxamides N-acylpyrrolidines Chlorobenzenes Aryl chlorides Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Carbothioic S-esters Thioesters Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Primary alcohols Carbonyl compounds Organochlorides
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - Proline or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - 3-phenylpropanoic-acid - Phenylpyrazole - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-acyl-piperidine - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrimidine - Pyrrolidine - Pyrazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxamide group - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Alcohol - Organic oxide - Organochloride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organohalogen compound - Organosulfur 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