Ciprokiren
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Basic information
- CAS
143631-62-3- Standard SMILES
CC(C)(C(=O)N1CCOCC1)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1- InChIKey
PODHJNNUGIBMOP-HOQQKOLYSA-N- Molecular formula
- C37H55N5O8S
- Average molar mass
- 729.9 g/mol
- Monoisotopic mass
- 729.3771349
Overview
a renin inhibitor; prevents neointima formation to the same extent as cilazapril
Names & identifiers
- Preferred name
- Ciprokiren
- IUPAC
- (2S)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanamide
- English name
- Ciprokiren
- Molecular formula
- C37H55N5O8S
- Molecular weight
- 729.93
Names & synonyms
Ciprokiren143631-62-3ciprokireneciprokirenoK259Z4O1B3RO449375RO 44-9375(alphaS)-N-((1S,2R,3S)-1-(Cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)-alpha-((alphaS)-alpha-(((1-methyl-1-(morpholinocarbonyl)ethyl)sulfonyl)methyl)hydrocinnamamido)imidazole-4-propionamideciprokirenumRo-44-9375RefChem:1263271H-Imidazole-4-propanamide, N-(1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl)-alpha-((2-(((1,1-dimethyl-2-(4-morpholinyl)-2-oxoethyl)sulfonyl)methyl)-1-oxo-3-phenylpropyl)amino)-, (1S-(1R*(R*(R*)),2S*,3R*))-
Show more names
1H-Imidazole-4-propanamide, N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-α-[[(2S)-2-[[[1,1-dimethyl-2-(4-morpholinyl)-2-oxoethyl]sulfonyl]methyl]-1-oxo-3-phenylpropyl]amino]-, (αS)-
Ciprokiren [INN]UNII-K259Z4O1B3(2S)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanamideSCHEMBL564425orb1738826CHEMBL2104380DTXSID801350941Q27281849
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,260
Physicochemical properties
- Boiling point
- 1084.233 · 1084.233±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.338 · 13.338±0.46(predicted)
- FDA UNII
- 259 Z4O1B3 · K259Z4O1B3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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