For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N-[2-[4-BENZYL-5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
SpectraBase Compound ID KhifmDGqkpt
InChI InChI=1S/C40H47N7O4.ClH/c41-23-13-22-34(39(50)42-25-31-16-7-2-8-17-31)44-37(48)28-46-29-38(49)47(26-32-18-9-3-10-19-32)27-36(46)35(24-30-14-5-1-6-15-30)45-40(51)43-33-20-11-4-12-21-33;/h1-12,14-21,34-36H,13,22-29,41H2,(H,42,50)(H,44,48)(H2,43,45,51);1H/t34?,35-,36-;/m0./s1
InChIKey KDOBVROOXDXMDR-LUTLNFQISA-N
Mol Weight 726.3 g/mol
Molecular Formula C40H48ClN7O4
Exact Mass 725.345631 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 IQlOnxTgh9J
Name N-[2-[4-BENZYL-5-OXO-(2S)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN-NH-BN-HYDROCHLORIDE
Compound Number 19A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H48ClN7O4
InChI InChI=1S/C40H47N7O4.ClH/c41-23-13-22-34(39(50)42-25-31-16-7-2-8-17-31)44-37(48)28-46-29-38(49)47(26-32-18-9-3-10-19-32)27-36(46)35(24-30-14-5-1-6-15-30)45-40(51)43-33-20-11-4-12-21-33;/h1-12,14-21,34-36H,13,22-29,41H2,(H,42,50)(H,44,48)(H2,43,45,51);1H/t34?,35-,36-;/m0./s1
InChIKey KDOBVROOXDXMDR-LUTLNFQISA-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 726.319 g/mol
Solvent DMSO-D6
Source File Reference UWBT14799