Compound Identification
SMILES
Cl.CN[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12.CC(C)(N)C(=O)N[C@H](COCC1=CC=CC=C1)C(=O)N1CCC2(CN(C3=CC=CC=C23)S(C)(=O)=O)CC1
InChIKey
InChIKey=DJARTLGPTZNXIM-MNBQLPEISA-N
Formula
C44H54Cl3N5O5S
Mass
871.36
Taxonomic Classification
Taxonomy Tree
-
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
Tametralines N-acyl-alpha amino acids and derivatives Alpha amino acid amides Benzylethers Indoles and derivatives N-acylpiperidines Dichlorobenzenes Aralkylamines Aryl chlorides Organosulfonamides Organic sulfonamides Sulfonyls Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Dialkyl ethers Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Tametraline - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Tetralin - N-acyl-piperidine - Indole or derivatives - Benzylether - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aralkylamine - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl chloride - Piperidine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Organosulfur compound - Organic oxide - Primary amine - Amine - Carbonyl group - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organochloride - Organohalogen 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