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2755812-45-2

2755812-45-2 Structure

2755812-45-2 Structure
IdentificationBack Directory
[Name]

(1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
[CAS]

2755812-45-2
[Synonyms]

PF-07321332-006
(1R,2S,5S)-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
(1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 3-[(2S)-3,3-dimethyl-1-oxo-2-[(2,2,2-trifluoroacetyl)amino]butyl]-6,6-dimethyl-, (1R,2S,5S)-
[Molecular Formula]

C16H23F3N2O4
[MOL File]

2755812-45-2.mol
[Molecular Weight]

364.36
Chemical PropertiesBack Directory
[Boiling point ]

495.1±45.0 °C(Predicted)
[density ]

1.290±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[pka]

3.26±0.40(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C16H23F3N2O4/c1-14(2,3)10(20-13(25)16(17,18)19)11(22)21-6-7-8(15(7,4)5)9(21)12(23)24/h7-10H,6H2,1-5H3,(H,20,25)(H,23,24)/t7-,8-,9-,10+/m0/s1
[InChIKey]

JDMCUFJAHAVBLQ-AATLWQCWSA-N
[SMILES]

[C@@]12([H])[C@@]([H])(C1(C)C)CN(C(=O)[C@@H](NC(C(F)(F)F)=O)C(C)(C)C)[C@@H]2C(O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P280-P305+P351+P338
[REACH Registrations]

Active
Spectrum DetailBack Directory
[Spectrum Detail]

(1R,2S,5S)-3-((S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid(2755812-45-2)1HNMR
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