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N-[2-[(2R)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID BUh1yIYt0Wr
InChI InChI=1S/C35H44N6O5.ClH/c36-29(20-26-12-4-1-5-13-26)31-22-38-32(42)23-41(31)24-33(43)40-30(34(44)39-21-27-14-6-2-7-15-27)18-10-11-19-37-35(45)46-25-28-16-8-3-9-17-28;/h1-9,12-17,29-31H,10-11,18-25,36H2,(H,37,45)(H,38,42)(H,39,44)(H,40,43);1H/t29-,30?,31+;/m0./s1
InChIKey MKXOPPOFEGANAH-TUDGSGHZSA-N
Mol Weight 665.2 g/mol
Molecular Formula C35H45ClN6O5
Exact Mass 664.313996 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A6qXVo9cA89
Name N-[2-[(2R)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-LYS(Z)-NH-BN-HYDROCHLORIDE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H45ClN6O5
InChI InChI=1S/C35H44N6O5.ClH/c36-29(20-26-12-4-1-5-13-26)31-22-38-32(42)23-41(31)24-33(43)40-30(34(44)39-21-27-14-6-2-7-15-27)18-10-11-19-37-35(45)46-25-28-16-8-3-9-17-28;/h1-9,12-17,29-31H,10-11,18-25,36H2,(H,37,45)(H,38,42)(H,39,44)(H,40,43);1H/t29-,30?,31+;/m0./s1
InChIKey MKXOPPOFEGANAH-TUDGSGHZSA-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 665.233 g/mol
Solvent DMSO-D6
Source File Reference UWBT14756