Compound Identification
SMILES
CC(C)C1NC(=O)C2CSSCC(NC(=O)C(C)NC(=O)C(COC1=O)NC(=O)C1=NC3=CC=CC=C3N=C1)C(=O)NC(C(C)C)C(=O)OCC(NC(=O)C1=NC3=CC=CC=C3N=C1)C(=O)NC(C)C(=O)N2
InChIKey
InChIKey=LKLFQBAVCYTITN-UHFFFAOYSA-N
Formula
C46H54N12O12S2
Mass
1031.13
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Peptidomimetics
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Subclass
Depsipeptides
- Level 5 Cyclic depsipeptides
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Subclass
Depsipeptides
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Class
Peptidomimetics
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Peptidomimetics
Subclass
Depsipeptides
Intermediate Tree Nodes
Not available
Direct Parent
Cyclic depsipeptides
Alternative Parents
Macrolide lactams Alpha amino acid esters Macrolactams N-acyl-alpha amino acids and derivatives Macrolides and analogues Quinoxalines Pyrazinecarboxamides 2-heteroaryl carboxamides Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Lactones Organic disulfides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic depsipeptide - Macrolide lactam - Alpha-amino acid ester - Macrolide - N-acyl-alpha amino acid or derivatives - Macrolactam - Diazanaphthalene - Alpha-amino acid or derivatives - Quinoxaline - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - 2-heteroaryl carboxamide - Dicarboxylic acid or derivatives - Benzenoid - Pyrazine - Heteroaromatic compound - Secondary carboxylic acid amide - Lactone - Lactam - Organic disulfide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
External Descriptors
Not available