Compound Identification
SMILES
COC1=C2C=C3C(O[C@@H]4C[C@H](N(C4)C(=O)[C@@H](NC(=O)OCC(C)(C)CC=C2)C2CCCC2)C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C2CC2)=NC2=C(C=CC(=C2)C#N)C3=C1
InChIKey
InChIKey=OPGSUZDODOVZHR-MQMVYYEBSA-N
Formula
C44H50N6O9S
Mass
838.98
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
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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
Phenanthridines and derivatives Macrolactams N-acyl-alpha amino acids and derivatives Alpha amino acid amides Isoquinolines and derivatives Pyrrolidinecarboxamides Anisoles Alkyl aryl ethers Cyclopropanecarboxylic acids and derivatives Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Aminosulfonyl compounds Organosulfonic acids and derivatives Carbamate esters Secondary carboxylic acid amides Lactams Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclic alpha peptide - Benzoquinoline - Phenanthridine - Macrolactam - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Isoquinoline - Quinoline - Anisole - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkyl aryl ether - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Pyridine - Tertiary carboxylic acid amide - Pyrrolidine - Carbamic acid ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Organoheterocyclic compound - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Cyanide - Organic oxide - 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