Compound Identification
SMILES
COC1=C(Cl)C2=C(C=C1)C(O[C@@H]1C[C@@H]3N(C1)C(=O)[C@@H](NC(=O)OC1CCCC1)[C@H](C)OC(=O)CCC=C[C@@H]1C[C@]1(NC3=O)P(O)(=O)CC1=C(F)C=CC=C1F)=CC(=N2)C1=CSC(NC(C)C)=N1
InChIKey
InChIKey=JMIITOIWOXGNOH-WDOSFAJYSA-N
Formula
C46H52ClF2N6O10PS
Mass
985.43
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
Dipeptides Macrolactams Chloroquinolines Alpha amino acids and derivatives Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers Fluorobenzenes 2-amino-1,3-thiazoles Pyridines and derivatives Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Pyrrolidines Carbamate esters Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Lactams Lactones Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Organochlorides Carbonyl compounds Organofluorides Organophosphorus compounds Organopnictogen compounds Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-dipeptide - Cyclic alpha peptide - Macrolactam - Haloquinoline - Chloroquinoline - Quinoline - Alpha-amino acid or derivatives - Phenol ether - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl chloride - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Carbamic acid ester - Thiazole - Tertiary carboxylic acid amide - Pyrrolidine - Carboxylic acid ester - Carboxamide group - Lactam - Secondary carboxylic acid amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organophosphorus compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Amine - Organochloride - Organohalogen compound - 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