Compound Identification
SMILES
CN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1.CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O)C(C)(C)O)[C@H](C)CC
InChIKey
InChIKey=KTXZJTAYTZWWFZ-JPCADUJYSA-N
Formula
C81H116F3N11O11S
Mass
1508.94
Taxonomic Classification
Taxonomy Tree
-
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 Phenothiazines Macrolactams Macrolides and analogues Alpha amino acid esters Alkyldiarylamines Diarylthioethers N-methylpiperazines Benzene and substituted derivatives 1,4-thiazines Pyrrolidines Tertiary alcohols Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactones Lactams Trialkylamines Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
Cyclic depsipeptide - Phenothiazine - Macrolide lactam - Macrolactam - Alpha-amino acid ester - Macrolide - Alkyldiarylamine - Diarylthioether - Alpha-amino acid or derivatives - Benzothiazine - Aryl thioether - Tertiary aliphatic/aromatic amine - N-alkylpiperazine - N-methylpiperazine - Benzenoid - 1,4-diazinane - Para-thiazine - Monocyclic benzene moiety - Piperazine - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary alcohol - Secondary carboxylic acid amide - Tertiary amine - Lactam - Lactone - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Thioether - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen 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