Compound Identification
SMILES
CS(=O)(=O)N[C@H](CCC1CCNCC1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC1=CC=CO1)C(=O)C1=NC2=CC=CC=C2O1)OCC1=CC=C(Cl)C=C1
InChIKey
InChIKey=XHHNYDROZNLQQG-JIBNBMRDSA-N
Formula
C36H42ClN5O8S
Mass
740.27
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
-
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
Proline and derivatives Alpha amino acid amides Benzylethers Benzoxazoles Pyrrolidinecarboxamides Aryl alkyl ketones N-acylpyrrolidines Chlorobenzenes Piperidines Organosulfonamides Aryl chlorides Organic sulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Furans Oxazoles Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkylamines Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzylether - Benzoxazole - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Aryl ketone - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid amide - Piperidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Furan - Aminosulfonyl compound - Tertiary carboxylic acid amide - Oxazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Secondary carboxylic acid amide - Ketone - Amino acid or derivatives - Carboxamide group - Secondary amine - Oxacycle - Azacycle - Ether - Secondary aliphatic amine - Dialkyl ether - Organoheterocyclic compound - Organochloride - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - 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