Compound Identification
SMILES
CC[C@@H]1C[C@H](C)CC\C=C/[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)OC1=CC(=NC=C1)C1=NC(C)=CS1)C(=O)NS(=O)(=O)C1(C)CC1
InChIKey
InChIKey=QCWFXOCUEVIICQ-GKAJLOQVSA-N
Formula
C39H51F3N6O8S2
Mass
852.99
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
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Peptides
- Level 6 Cyclic peptides
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Level 5
Peptides
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Peptides
Direct Parent
Cyclic peptides
Alternative Parents
Macrolactams Alpha amino acid amides 2,4-disubstituted thiazoles Alkyl aryl ethers Pyridines and derivatives Cyclopropanecarboxylic acids and derivatives Tertiary carboxylic acid amides Pyrrolidines Organosulfonic acids and derivatives Aminosulfonyl compounds Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - Macrolactam - Alpha-amino acid amide - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Pyridine - Cyclopropanecarboxylic acid or derivatives - Aminosulfonyl compound - Carbamic acid ester - Thiazole - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrolidine - Azole - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Ether - Organosulfur compound - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
External Descriptors
Not available