Basic information
- Standard SMILES
CCC(C)C(C(O)=NC(C(=O)N(C)C(C(C)CC)C(CC(=O)N1CCCC1C(OC)C(C)C(O)=NC(Cc1ccccc1)c1nccs1)OC)C(C)C)N(C)C- InChIKey
OJSUENRPBJADBN-UHFFFAOYSA-N- Molecular formula
- C43H70N6O6S
- Average molar mass
- 799.1 g/mol
- Monoisotopic mass
- 798.50775496
Names & identifiers
- Preferred name
- 2-(dimethylamino)-N-[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide
- IUPAC
- 2-(dimethylamino)-N-[1-[[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylpentanamide
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…