Structure Information
Structure

Compound Identification

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\CSCCC(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@H](CCC(O)=O)C(=O)NCC(O)=O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

InChIKey

InChIKey=YEQHGJJIOZFVPJ-LCXIYJQGSA-N

Formula

C97H160N18O33S

Mass

2138.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Peptidomimetics

Subclass

Peptoid-peptide hybrids

Intermediate Tree Nodes

Not available

Direct Parent

Cyclosporins

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Cyclosporin-backbone - Alpha-oligopeptide - Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Macrolactam - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cyclosporins. These are cyclic depsipeptides containing the cyclosporin backbone.

External Descriptors

Not available

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