Compound Identification
SMILES
COC1=CC2=C(C=C1)C(O[C@@H]1C[C@@H]3N(C1)C(=O)[C@H](CCCOCCCC1C[C@]1(NC3=O)C(O)=O)NC(=O)OC(C)(C)C)=CC(=N2)C1=CC=CC=C1
InChIKey
InChIKey=WMAQRRWHVCKNOH-XMHNQUEASA-N
Formula
C38H46N4O9
Mass
702.805
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
Phenylquinolines Macrolactams Phenylpyridines Alpha amino acids and derivatives Anisoles Alkyl aryl ethers Benzene and substituted derivatives Cyclopropanecarboxylic acids Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Pyrrolidines Secondary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - Phenylquinoline - Macrolactam - 2-phenylpyridine - Alpha-amino acid or derivatives - Quinoline - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Pyridine - Benzenoid - Carbamic acid ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrolidine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen 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