Compound Identification
SMILES
COC1=CC2=C(C=C1)C(O[C@@H]1C[C@@H]3N(C1)C(=O)[C@H](CCNCCCCC1C[C@]1(NC3=O)C(O)=O)NC(=O)OC(C)(C)C)=CC(=N2)C1=CC=CC=C1
InChIKey
InChIKey=JPIMHVHHKXKNBN-XMHNQUEASA-N
Formula
C38H47N5O8
Mass
701.821
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
-
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
Phenylquinolines Macrolactams Phenylpyridines Alpha amino acids and derivatives Anisoles Alkyl aryl ethers Benzene and substituted derivatives Cyclopropanecarboxylic acids Tertiary carboxylic acid amides Pyrrolidines Carbamate esters Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Dialkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - Phenylquinoline - Macrolactam - 2-phenylpyridine - Alpha-amino acid or derivatives - Quinoline - Phenol ether - Anisole - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carbamic acid ester - Lactam - Amino acid or derivatives - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary amine - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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