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BENZYL-2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETATE
SpectraBase Compound ID H6IRJ4WHs4N
InChI InChI=1S/C29H32N4O4/c34-27-19-33(20-28(35)37-21-24-14-8-3-9-15-24)26(18-30-27)25(16-22-10-4-1-5-11-22)32-29(36)31-17-23-12-6-2-7-13-23/h1-15,25-26H,16-21H2,(H,30,34)(H2,31,32,36)/t25-,26-/m0/s1
InChIKey LLHWFARMKBLARZ-UIOOFZCWSA-N
Mol Weight 500.6 g/mol
Molecular Formula C29H32N4O4
Exact Mass 500.242356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBIuFQMLdYz
Name BENZYL-2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32N4O4
InChI InChI=1S/C29H32N4O4/c34-27-19-33(20-28(35)37-21-24-14-8-3-9-15-24)26(18-30-27)25(16-22-10-4-1-5-11-22)32-29(36)31-17-23-12-6-2-7-13-23/h1-15,25-26H,16-21H2,(H,30,34)(H2,31,32,36)/t25-,26-/m0/s1
InChIKey LLHWFARMKBLARZ-UIOOFZCWSA-N
Literature Reference Author A.M.VALDIVIELSO,M.T.GARCIA-LOPEZ,M.GUTIERREZ-RODRIGUEZ,R.HER RANZ
Literature Reference Citation MOLECULES,19,4814(2014)
Literature Reference DOI 10.3390/molecules19044814
Molecular Weight 500.597 g/mol
Solvent CDCl3
Source File Reference UWBT14747