Structure Information
Structure

Compound Identification

SMILES

NS(=O)(=O)C1=C(Cl)C=C2NCNS(=O)(=O)C2=C1.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O.COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1

InChIKey

InChIKey=NRCPHJCBASLUMG-WDFOJNLTSA-N

Formula

C58H80ClN7O13S2

Mass

1182.88

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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 - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 1,2,4-benzothiadiazine-1,1-dioxide - Phenylbutylamine - Alpha-amino acid or derivatives - Benzothiadiazine - O-dimethoxybenzene - Dimethoxybenzene - Indole or derivatives - Phenethylamine - Phenylpropane - Phenoxy compound - N-acylpyrrolidine - Anisole - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Alkyl aryl ether - Fatty acid ester - Organosulfonic acid amide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Pyrrolidine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Amino acid - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Ether - Nitrile - Carbonitrile - Carbonyl group - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Amine - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen 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

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