John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HoA96wkuHMG SpectraBase Spectrum ID=2W9GyvCiPsl

(accessed ).
N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID HoA96wkuHMG
InChI InChI=1S/C33H41N7O4.ClH/c34-18-10-17-27(32(43)36-20-25-13-6-2-7-14-25)38-31(42)23-40-22-30(41)35-21-29(40)28(19-24-11-4-1-5-12-24)39-33(44)37-26-15-8-3-9-16-26;/h1-9,11-16,27-29H,10,17-23,34H2,(H,35,41)(H,36,43)(H,38,42)(H2,37,39,44);1H/t27?,28-,29+;/m0./s1
InChIKey AAMDTGMBMMIQQY-YWJDIMICSA-N
Mol Weight 636.2 g/mol
Molecular Formula C33H42ClN7O4
Exact Mass 635.298681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2W9GyvCiPsl
Name N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
Compound Number 11A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H42ClN7O4
InChI InChI=1S/C33H41N7O4.ClH/c34-18-10-17-27(32(43)36-20-25-13-6-2-7-14-25)38-31(42)23-40-22-30(41)35-21-29(40)28(19-24-11-4-1-5-12-24)39-33(44)37-26-15-8-3-9-16-26;/h1-9,11-16,27-29H,10,17-23,34H2,(H,35,41)(H,36,43)(H,38,42)(H2,37,39,44);1H/t27?,28-,29+;/m0./s1
InChIKey AAMDTGMBMMIQQY-YWJDIMICSA-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 636.194 g/mol
Solvent DMSO-D6
Source File Reference UWBT14766
SpectraBase Batch ID I5B5PjwblPe