Compound Identification
SMILES
NC(=N)C1=CC=C(C[C@H](NC(=O)OCC=C)C(=O)N[C@@H](CCC(O)=O)C(=O)NC2CCN(CC2)S(=O)(=O)C2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=KBIGYZCRDUOVSF-DQEYMECFSA-N
Formula
C30H37ClN6O8S
Mass
677.17
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
Phenylalanine and derivatives Glutamic acid and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Piperidines Organosulfonamides Aryl chlorides N-acyl amines Sulfonyls Carbamate esters Secondary carboxylic acid amides Carboximidamides Carboxamidines Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Benzenesulfonamide - Amphetamine or derivatives - Alpha-amino acid or derivatives - Benzenesulfonyl group - Halobenzene - Chlorobenzene - Fatty acyl - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty amide - Organosulfonic acid amide - Aryl chloride - Piperidine - N-acyl-amine - Carbamic acid ester - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amidine - Azacycle - Organoheterocyclic compound - Carboximidamide - Carboxylic acid amidine - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen 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