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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Peptidomimetics
-
Subclass
Peptoid-peptide hybrids
- Level 5 Cyclosporins
-
Subclass
Peptoid-peptide hybrids
-
Class
Peptidomimetics
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Peptidomimetics
Subclass
Peptoid-peptide hybrids
Intermediate Tree Nodes
Not available
Direct Parent
Cyclosporins
Alternative Parents
Oligopeptides Glutamic acid and derivatives Macrolactams N-acyl-alpha amino acids Alpha amino acid amides N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
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