Benzyl [(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,9-dimethyldecan-5-yl]carbamate
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Basic information
- CAS
1236549-06-6- Standard SMILES
COCCCOc1cc(C[C@@H](C[C@H](NC(=O)OCc2ccccc2)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC- InChIKey
AXRPIIITHOBDDV-YDPTYEFTSA-N- Molecular formula
- C38H59N3O8
- Average molar mass
- 685.9 g/mol
- Monoisotopic mass
- 685.43021585
Names & identifiers
- Preferred name
- Benzyl [(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,9-dimethyldecan-5-yl]carbamate
- IUPAC
- benzyl N-[(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyldecan-5-yl]carbamate
- English name
- δN-Benzyloxycarbonyl Aliskiren
- Molecular formula
- C38H59N3O8
- Molecular weight
- 685.89
Names & synonyms
1236549-06-6Benzyl [(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-2,9-dimethyldecan-5-yl]carbamatebenzyl N-[(3S,5S,6S,8S)-8-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl]-6-hydroxy-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyldecan-5-yl]carbamateBenzyl ((3S,5S,6S,8S)-8-((3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl)-6-hydroxy-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-2,9-dimethyldecan-5-yl)carbamate?N-Benzyloxycarbonyl AliskirenSCHEMBL5020090DTXSID90705476δN-Benzyloxycarbonyl RasilezδN-Benzyloxycarbonyl TekturnaδN-Benzyloxycarbonyl AliskirenAliskiren N-Benzyloxycarboryl IMPDeltan-benzyloxycarbonyl aliskiren
Show more names
Aliskiren N-Benzyloxycarbonyl Impurity(αS,γS,δS,zS)-δ-(Benzyloxycarbonyl)aMino-N-(3-aMino-2,2-diMethyl-3-oxopropyl)-γ-hydroxy-4-Methoxy-3-(3-Methoxypropoxy)-α,z-bis(1-Methylethyl)benzeneoctanaMide
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 23
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 971
Physicochemical properties
- solubility
- Dichloromethane, Methanol
Chemistry & industry
Applications
UsesProtected precursor to Aliskiren, a synthetic antihypertensive.
Related reactions
0 records
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Compound notes
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