Compound Identification
SMILES
COC(=O)C1=NC(=CC=C1)C(O)O.COC(=O)[C@@H]1CCC[C@H]2N1C(=O)[C@@H](C)COC2=O.CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OCC1=CC=CC=C1.COC(=O)[C@@H]1CCC[C@H]2N1C(=O)C(COC2=O)NC(=O)OC(C)(C)C.COC(=O)C1CCC[C@@H](N1)C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1.COC(=O)C1=NC(=CC=C1)C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=NWEIRPNZCGGLQI-UNYZDXPSSA-N
Formula
C97H129N9O37
Mass
2013.125
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Alpha amino acid esters Serine and derivatives Benzyloxycarbonyls Tricarboxylic acids and derivatives Pyridinecarboxylic acids Piperidinecarboxylic acids 1,4-oxazepines Beta hydroxy acids and derivatives Tertiary carboxylic acid amides Methyl esters Carbamate esters Heteroaromatic compounds Lactones Lactams Dialkylamines Azacyclic compounds Oxacyclic compounds Carbonyl compounds Primary alcohols Organic oxides Organopnictogen compounds Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cyclic alpha peptide - Alpha-amino acid ester - Serine or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Piperidinecarboxylic acid - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tricarboxylic acid or derivatives - Para-oxazepine - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Methyl ester - Carbamic acid ester - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Oxacycle - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Organonitrogen compound - Organooxygen compound - Amine - Alcohol - 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