Structure Information
Structure

Compound Identification

SMILES

CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)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](COCCNS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)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=JVXMRJPXFVJNKT-DOQIYGGISA-N

Formula

C76H127N13O15S

Mass

1494.99

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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

Aromatic heteropolycyclic compounds

Substituents

Cyclosporin-backbone - Alpha-oligopeptide - 1-naphthalene sulfonamide - Naphthalene sulfonic acid or derivatives - 1-naphthalene sulfonic acid or derivatives - Naphthalene sulfonamide - Macrolactam - Alpha-amino acid or derivatives - Naphthalene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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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