Compound Identification
SMILES
CC(O)=O.CC(C)C[C@H](NC(=O)[C@H](N)CC1=CC=C(NC2=NNC(N)=N2)C=C1)C(=O)N(C(=O)[C@@H](N)CC1=CC=C(NC2=NNC(N)=N2)C=C1)C(=O)[C@@](CC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(C)=O)(N(C(=O)[C@H](CO)NC(=O)[C@H](N)CC1=CN=CC=C1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C)C)C(=O)[C@H](N)CC1=CC=C(Cl)C=C1
InChIKey
InChIKey=MJOIFHBEWAFRRL-XVJBUYQMSA-N
Formula
C82H106ClN23O14
Mass
1673.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Peptides
- Level 6 Dipeptides
-
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 Leucine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Serine and derivatives Phenylbutylamines Amphetamines and derivatives Naphthalenes Aniline and substituted anilines Pyrrolidinecarboxamides N-acylpyrrolidines Aralkylamines Chlorobenzenes Pyridines and derivatives Aryl chlorides N-acyl amines N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Triazoles Acetamides Alpha-amino ketones Tertiary carboxylic acid amides Secondary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Monoalkylamines Organochlorides Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Not available
Substituents
Alpha-dipeptide - Phenylalanine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Phenylbutylamine - Amphetamine or derivatives - Alpha-amino acid or derivatives - Naphthalene - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Aniline or substituted anilines - Pyrrolidine-2-carboxamide - Aralkylamine - Chlorobenzene - Halobenzene - Carboxylic acid imide, n-substituted - Benzenoid - Aryl halide - Aryl chloride - Fatty acyl - N-acyl-amine - Pyridine - Fatty amide - Monocyclic benzene moiety - Alpha-aminoketone - Heteroaromatic compound - Acetamide - 1,2,4-triazole - Azole - Carboxylic acid imide - Pyrrolidine - Dicarboximide - Tertiary carboxylic acid amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ketone - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Primary amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic oxide - Organochloride - Amine - Organohalogen compound - Hydrocarbon derivative - Primary aliphatic amine - 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