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
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 1-naphthalene sulfonamides 1-naphthalene sulfonic acids and derivatives Macrolactams Alpha amino acids and derivatives Dialkylarylamines Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Secondary carboxylic acid amides Secondary alcohols Lactams Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
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