Compound Identification
SMILES
CC[C@@H](C)[C@@H]1NC(=O)C(NC(=O)C(CC(C)C)NC)C(C)OC(=O)C(CC2=CC=C(OC)C=C2)N(C)C(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(C)C(=O)C(OC(=O)C[C@H]1O)C(C)C
InChIKey
InChIKey=XQZOGOCTPKFYKC-YRETZQAMSA-N
Formula
C49H78N6O12
Mass
943.193
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
Dipeptides Macrolide lactams Leucine and derivatives N-acyl-alpha amino acids and derivatives Macrolactams Alpha amino acid esters Alpha amino acid amides Phenoxy compounds Methoxybenzenes Anisoles Alpha-acyloxy ketones Alkyl aryl ethers N-acyl amines Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Secondary alcohols Lactones Lactams Cyclic ketones Carboxylic acid esters Oxacyclic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Cyclic depsipeptide - Leucine or derivatives - Macrolide lactam - N-acyl-alpha amino acid or derivatives - Macrolactam - Alpha-amino acid ester - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alpha-acyloxy ketone - Alkyl aryl ether - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - N-acyl-amine - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Pyrrolidine - Cyclic ketone - Secondary carboxylic acid amide - Secondary alcohol - Lactone - Lactam - Ketone - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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