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ALPHA-[6-(1'-N-CYCLOPENTYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDITHIO]-N-CYCLOPENTYL-PROPANAMIDE
SpectraBase Compound ID 5Pc1tCU5aDZ
InChI InChI=1S/2C27H34N6O2S2/c2*1-17(24(34)29-19-10-6-7-11-19)36-26-22-16-28-33(21-14-4-3-5-15-21)23(22)31-27(32-26)37-18(2)25(35)30-20-12-8-9-13-20/h2*3-5,14-20H,6-13H2,1-2H3,(H,29,34)(H,30,35)
InChIKey JYXZNMRXZDATRC-UHFFFAOYSA-N
Mol Weight 1077.5 g/mol
Molecular Formula C54H68N12O4S4
Exact Mass 1076.436933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiMnpSRB9Pt
Name ALPHA-[6-(1'-N-CYCLOPENTYLCARBAMOYLETHYLTHIO)-1-PHENYLPYRAZOLO-[3,4-D]-PYRIMIDITHIO]-N-CYCLOPENTYL-PROPANAMIDE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H68N12O4S4
InChI InChI=1S/2C27H34N6O2S2/c2*1-17(24(34)29-19-10-6-7-11-19)36-26-22-16-28-33(21-14-4-3-5-15-21)23(22)31-27(32-26)37-18(2)25(35)30-20-12-8-9-13-20/h2*3-5,14-20H,6-13H2,1-2H3,(H,29,34)(H,30,35)
InChIKey JYXZNMRXZDATRC-UHFFFAOYSA-N
Literature Reference Author M.CHEBIB,D.MCKEVENEY,R.J.QUINN
Literature Reference Citation BIOORG.MED.CHEM.,8,2581(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00190-5
Molecular Weight 1077.452 g/mol
Solvent DMSO-D6
Source File Reference UWVN20479