Doscadenamide A
Basic information
- Standard SMILES
C#CCCCC[C@@H](C)C(=O)N1C(=O)C=C(OC)[C@@H]1CCCCN=C(O)[C@H](C)CCCCC#C- InChIKey
IDXOHNKKJPWXGM-ZLNRFVROSA-N- Molecular formula
- C27H40N2O4
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.29880776
Overview
Doscadenamide A is a dicarboximide.
Names & identifiers
- Preferred name
- Doscadenamide A
- IUPAC
- (2R)-N-[4-[(2S)-3-methoxy-1-[(2R)-2-methyloct-7-ynoyl]-5-oxo-2H-pyrrol-2-yl]butyl]-2-methyloct-7-ynamide
Names & synonyms
Doscadenamide A(2R)-N-(4-((2S)-3-methoxy-1-((2R)-2-methyloct-7-ynoyl)-5-oxo-2H-pyrrol-2-yl)butyl)-2-methyloct-7-ynamide(2R)-N-[4-[(2S)-3-methoxy-1-[(2R)-2-methyloct-7-ynoyl]-5-oxo-2H-pyrrol-2-yl]butyl]-2-methyloct-7-ynamideRefChem:1356837-Octynamide, N-(4-((2S)-2,5-dihydro-3-methoxy-1-((2R)-2-methyl-1-oxo-7-octyn-1-yl)-5-oxo-1H-pyrrol-2-yl)butyl)-2-methyl-, (2R)-CHEMBL4858236SCHEMBL22953493CHEBI:210016
Database identifiers
- ChEMBL
CHEMBL4858236- ChEBI
CHEBI:210016
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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