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N-[2-[(2R)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID GTlFuXD7vVv
InChI InChI=1S/C34H42N6O5.ClH/c35-28(19-25-11-4-1-5-12-25)30-21-37-31(41)22-40(30)23-32(42)39-29(33(43)38-20-26-13-6-2-7-14-26)17-10-18-36-34(44)45-24-27-15-8-3-9-16-27;/h1-9,11-16,28-30H,10,17-24,35H2,(H,36,44)(H,37,41)(H,38,43)(H,39,42);1H/t28-,29?,30+;/m0./s1
InChIKey FGQSZOKHGAZDIZ-FARLAFIASA-N
Mol Weight 651.2 g/mol
Molecular Formula C34H43ClN6O5
Exact Mass 650.298346 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkBbKhj3RXy
Name N-[2-[(2R)-[(1S)-AMINO-2-PHENYLETHYL]-5-OXOPIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H43ClN6O5
InChI InChI=1S/C34H42N6O5.ClH/c35-28(19-25-11-4-1-5-12-25)30-21-37-31(41)22-40(30)23-32(42)39-29(33(43)38-20-26-13-6-2-7-14-26)17-10-18-36-34(44)45-24-27-15-8-3-9-16-27;/h1-9,11-16,28-30H,10,17-24,35H2,(H,36,44)(H,37,41)(H,38,43)(H,39,42);1H/t28-,29?,30+;/m0./s1
InChIKey FGQSZOKHGAZDIZ-FARLAFIASA-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 651.206 g/mol
Solvent DMSO-D6
Source File Reference UWBT14754