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N-[2-[4-BENZYL-(2R)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID 7sDk8j53iZj
InChI InChI=1S/C41H48N6O5.ClH/c42-35(24-31-14-5-1-6-15-31)37-27-47(26-33-18-9-3-10-19-33)39(49)29-46(37)28-38(48)45-36(40(50)44-25-32-16-7-2-8-17-32)22-13-23-43-41(51)52-30-34-20-11-4-12-21-34;/h1-12,14-21,35-37H,13,22-30,42H2,(H,43,51)(H,44,50)(H,45,48);1H/t35-,36?,37+;/m0./s1
InChIKey XPONXSRUJNCESB-TXUYRVTISA-N
Mol Weight 741.3 g/mol
Molecular Formula C41H49ClN6O5
Exact Mass 740.345296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KoMwqNzKRku
Name N-[2-[4-BENZYL-(2R)-[(1S)-AMINO]-2-PHENYLETHYL]-5-OXO-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN-HYDROCHLORIDE
Compound Number 16A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H49ClN6O5
InChI InChI=1S/C41H48N6O5.ClH/c42-35(24-31-14-5-1-6-15-31)37-27-47(26-33-18-9-3-10-19-33)39(49)29-46(37)28-38(48)45-36(40(50)44-25-32-16-7-2-8-17-32)22-13-23-43-41(51)52-30-34-20-11-4-12-21-34;/h1-12,14-21,35-37H,13,22-30,42H2,(H,43,51)(H,44,50)(H,45,48);1H/t35-,36?,37+;/m0./s1
InChIKey XPONXSRUJNCESB-TXUYRVTISA-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 741.330 g/mol
Solvent CDCl3
Source File Reference UWBT14782