Compound Identification
SMILES
COC1=CC2=C(C=C1)C(O[C@@H]1C[C@@H]3N(C1)C(=O)[C@H](CCCCC\C=C/[C@@H]1C[C@]1(NC3=O)C(O)=O)NC1=NC(=CS1)C(C)(C)C)=CC(=N2)C1=CC=CC=C1
InChIKey
InChIKey=NZZBWFKHDPSCTH-DLDUGRRXSA-N
Formula
C41H47N5O6S
Mass
737.92
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
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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
Phenylquinolines Macrolactams Phenylpyridines Alpha amino acids and derivatives Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers 2-amino-1,3-thiazoles Benzene and substituted derivatives Cyclopropanecarboxylic acids Tertiary carboxylic acid amides Pyrrolidines Heteroaromatic compounds Lactams Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - Phenylquinoline - Macrolactam - 2-phenylpyridine - Alpha-amino acid or derivatives - Quinoline - Anisole - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Cyclopropanecarboxylic acid - Pyridine - Pyrrolidine - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - Lactam - Ether - Organoheterocyclic compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organonitrogen 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