Butanamide, N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-((((2-pyridinylmethyl)amino)carbonyl)amino)-, (S-(R*,R*))-
Basic information
- CAS
134450-39-8- Standard SMILES
CC(C)[C@H](NC(=O)NCc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)CCc1ccccc1- InChIKey
AWRHPLDWFNPOAL-UIOOFZCWSA-N- Molecular formula
- C30H34F2N4O3
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.25989728
Names & identifiers
- Preferred name
- Butanamide, N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-((((2-pyridinylmethyl)amino)carbonyl)amino)-, (S-(R*,R*))-
- IUPAC
- (2S)-N-[(2S)-4,4-difluoro-3-oxo-1,6-diphenylhexan-2-yl]-3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)butanamide
Names & synonyms
134450-39-8CHEMBL52051Butanamide, N-(3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl)-3-methyl-2-((((2-pyridinylmethyl)amino)carbonyl)amino)-, (S-(R*,R*))-5(S)-(N-(2-Pyridyl)-methylaminocarbonyl-L-valinyl)-amino-3,3-difluoro-1,6-diphenyl-4-oxo-hexaneButanamide, N-[3,3-difluoro-2-oxo-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[[(2-pyridinylmethyl)amino]carbonyl]amino]-, [S-(R*,R*)]-DTXSID40158711BDBM50000813(2S)-N-[(1S)-1-benzyl-3,3-difluoro-2-oxo-5-phenyl-pentyl]-3-methyl-2-(2-pyridylmethylcarbamoylamino)butanamideN-[(2S)-4,4-Difluoro-3-oxo-1,6-diphenylhexan-2-yl]-N~2~-{[(pyridin-2-yl)methyl]carbamoyl}-L-valinamide
Database identifiers
- CAS
134450-39-8- PubChem CID
- 452983
- DTXSID
DTXSID40158711- ChEMBL
CHEMBL52051
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 782
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Compound notes
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