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N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID BgWpN2d2WKL
InChI InChI=1S/C35H45N7O4.ClH/c36-19-11-10-18-29(34(45)38-21-27-14-6-2-7-15-27)40-33(44)25-42-24-32(43)37-23-31(42)30(20-26-12-4-1-5-13-26)41-35(46)39-22-28-16-8-3-9-17-28;/h1-9,12-17,29-31H,10-11,18-25,36H2,(H,37,43)(H,38,45)(H,40,44)(H2,39,41,46);1H/t29?,30-,31-;/m0./s1
InChIKey ZLGPSIAFWAWOET-FEECCKNXSA-N
Mol Weight 664.3 g/mol
Molecular Formula C35H46ClN7O4
Exact Mass 663.329981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8e1IcUP8yxt
Name N-[2-[(2S)-[(1S)-(3-BENZYLUREIDO)-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-LYS-NH-BN-HYDROCHLORIDE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46ClN7O4
InChI InChI=1S/C35H45N7O4.ClH/c36-19-11-10-18-29(34(45)38-21-27-14-6-2-7-15-27)40-33(44)25-42-24-32(43)37-23-31(42)30(20-26-12-4-1-5-13-26)41-35(46)39-22-28-16-8-3-9-17-28;/h1-9,12-17,29-31H,10-11,18-25,36H2,(H,37,43)(H,38,45)(H,40,44)(H2,39,41,46);1H/t29?,30-,31-;/m0./s1
InChIKey ZLGPSIAFWAWOET-FEECCKNXSA-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 664.248 g/mol
Solvent DMSO-D6
Source File Reference UWBT14773