Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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