Basic information
- CAS
154612-31-4- Standard SMILES
CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](SCc2cccnc2)C[C@H]1C(=O)NC(C)(C)C- InChIKey
IMPWGYVYFQPDFN-SZNOJMITSA-N- Molecular formula
- C41H52N6O4S
- Average molar mass
- 725 g/mol
- Monoisotopic mass
- 724.37707533
Names & identifiers
- Preferred name
- Bila 1906 BS
- IUPAC
- N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethylsulfanyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
- English name
- 2-Quinolinecarboxamide,N-[(1S)-1-[[[(1S,2R)-3-[(2S,4R)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-[(3-pyridinylmethyl)thio]-1-piperidinyl]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]-
- Molecular formula
- C41H52N6O4S
- Molecular weight
- 724.96
Names & synonyms
BILA 1906 BS154612-31-4DTXSID701656752-Quinolinecarboxamide, N-((1S)-1-((((1S,2R)-3-((2S,4R)-2-(((1,1-dimethylethyl)amino)carbonyl)-4-((3-pyridinylmethyl)thio)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-2-methylpropyl)-2-Quinolinecarboxamide, N-[(1S)-1-[[[(1S,2R)-3-[(2S,4R)-2-[[(1,1-dimethylethyl)amino]carbonyl]-4-[(3-pyridinylmethyl)thio]-1-piperidinyl]-2-hydroxy-1-(phenylmethyl)propyl]amino]carbonyl]-2-methylpropyl]-RefChem:329463DTXCID1088166N-[(1r)-1-{[(1s,2s)-1-Benzyl-3-{(2r,4s)-2-(Tert-Butylcarbamoyl)-4-[(Pyridin-3-Ylmethyl)sulfanyl]piperidin-1-Yl}-2-Hydroxypropyl]carbamoyl}-2-Methylpropyl]quinoline-2-CarboxamideN-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-3-ylmethylsulfanyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide1idaorb1701040SCHEMBL7384659
Show more names
BILA1906BS
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,140
Physicochemical properties
- Boiling point
- 994.48 · 994.480±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.245 · 1.245±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.263 · 11.263±0.46(predicted)
Chemistry & industry
Applications
DescriptionBILA 1906 BS is a substrate analog protease inhibitor.
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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