Compound Identification
SMILES
CC(C)(C=C)[C@H]1OC(=O)C2=C1CS[C@@H]1[C@H](NC(=O)CC3=CC=CC=C3)C(=O)N21
InChIKey
InChIKey=CYKKZTOWJONVLJ-HHXXYDBFSA-N
Formula
C21H22N2O4S
Mass
398.48
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
N-acyl-alpha amino acids and derivatives Phenylacetamides Cephems 1,3-thiazines Butenolides Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Lactones Azetidines Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Cephem - Meta-thiazine - Monocyclic benzene moiety - 2-furanone - Benzenoid - Beta-lactam - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Secondary carboxylic acid amide - Dialkylthioether - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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