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101968-85-8

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101968-85-8 Structure

101968-85-8 Structure
IdentificationBack Directory
[Name]

N-[[(1,1-DiMethylethyl)aMino]carbonyl]-3-Methyl-L-valine
[CAS]

101968-85-8
[Synonyms]

Boceprevir INT 2
N-tert-ButylcarbaMoyl-L-tert-leucine
(S)-2-[3-(tert-Butyl)ureido]-3,3-dimethylbutyric Acid
(S)-2-(3-tert-butylureido)-3,3-diMethylbutanoic acid [
N-[[(1,1-DiMethylethyl)aMino]carbonyl]-3-Methyl-L-valine
L-Valine,N-[[(1,1-diMethylethyl)aMino]carbonyl]-3-Methyl-
(2S)-2-(tert-butylcarbaMoylaMino)-3,3-diMethyl-butanoic acid
N-[[(1,1-Dimethylethyl)Amino]Carbonyl]-3-Methyl-L-Valine, ≥98%
(2S)-2-(tert-ButylaMinocarbonylaMino)-3,3-diMethylbutanoic Acid
[EINECS(EC#)]

600-257-4
[Molecular Formula]

C11H22N2O3
[MDL Number]

MFCD12796012
[MOL File]

101968-85-8.mol
[Molecular Weight]

230.304
Chemical PropertiesBack Directory
[Melting point ]

182 °C(dec.)
[Boiling point ]

407.6±28.0 °C(Predicted)
[density ]

1.047
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Methanol
[form ]

Solid
[pka]

4.28±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
[InChIKey]

RAAPXVRHYBAJQU-SSDOTTSWSA-N
[SMILES]

C(O)(=O)[C@H](C(C)(C)C)NC(NC(C)(C)C)=O
[CAS DataBase Reference]

101968-85-8
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2924.21.5000
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Reagent in the preparation of therapeutic agents.
Spectrum DetailBack Directory
[Spectrum Detail]

N-[[(1,1-DiMethylethyl)aMino]carbonyl]-3-Methyl-L-valine(101968-85-8)1HNMR
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