ChemicalBook--->CAS DataBase List--->1012341-52-4

1012341-52-4

1012341-52-4 Structure

1012341-52-4 Structure
IdentificationBack Directory
[Name]

(2S,4S)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid
[CAS]

1012341-52-4
[Synonyms]

LCZ706
LCZ696-20
impurity 21
LCZ696696-A-A
LCZ696 impuritiesE
LCZ-696 Impurity 17
LCZ 696 Impurity E
LCZ696 impurities125
Sacubitril Impurity 2
Sacubitril Impurity E
LCZ-696 Impurity 17(S,S)
LCZ696(valsartan + sacubitril) impurity 21
(2S,4S)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic acid
(2S,4S)-5-([1,1'-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methylpentanoic acid
(αS,γS)-γ-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-methyl-[1,1-biphenyl]-4-pentanoic Acid
1,1'-Biphenyl]-4-pentanoic acid, γ-[[(1,1-dimethylethoxy)carbonyl]amino]-α-methyl-, (αS,γS)-
(αS,?γS)?-γ-?[[(1,?1-?Dimethylethoxy)?carbonyl]?amino]?-?α-?methyl-[1,?1'-?biphenyl]?-?4-?pentanoic Acid
[Molecular Formula]

C23H29NO4
[MDL Number]

MFCD28386951
[MOL File]

1012341-52-4.mol
[Molecular Weight]

383.48
Chemical PropertiesBack Directory
[Boiling point ]

582.6±50.0 °C(Predicted)
[density ]

1.115±0.06 g/cm3(Predicted)
[pka]

4?+-.0.23(Predicted)
[InChI]

InChI=1/C23H29NO4/c1-16(21(25)26)14-20(24-22(27)28-23(2,3)4)15-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16,20H,14-15H2,1-4H3,(H,24,27)(H,25,26)/t16-,20-/s3
[InChIKey]

YNELJETWNMPEEH-HLGVANASNA-N
[SMILES]

C(O)(=O)[C@@H](C)C[C@H](NC(OC(C)(C)C)=O)CC1=CC=C(C2=CC=CC=C2)C=C1 |&1:3,6,r|
Hazard InformationBack Directory
[Uses]

(αS,?γS)?-γ-?[[(1,?1-?Dimethylethoxy)?carbonyl]?amino]?-?α-?methyl-[1,?1''-?biphenyl]?-?4-?pentanoic Acid is a useful synthetic intermediate.
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