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N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
SpectraBase Compound ID 5km2kj5WKau
InChI InChI=1S/C41H47N7O6/c49-37-27-48(36(26-43-37)35(24-30-14-5-1-6-15-30)47-40(52)45-33-20-11-4-12-21-33)28-38(50)46-34(39(51)44-25-31-16-7-2-8-17-31)22-13-23-42-41(53)54-29-32-18-9-3-10-19-32/h1-12,14-21,34-36H,13,22-29H2,(H,42,53)(H,43,49)(H,44,51)(H,46,50)(H2,45,47,52)/t34?,35-,36+/m0/s1
InChIKey LFSNXBISJIQHRZ-CIDCSGNASA-N
Mol Weight 733.9 g/mol
Molecular Formula C41H47N7O6
Exact Mass 733.358782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZKlolyjLWc
Name N-[2-[5-OXO-(2R)-[2-PHENYL-(1S)-(3-PHENYLUREIDO)-ETHYL]-PIPERAZIN-1-YL]-ACETYL]-ORN(Z)-NH-BN
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H47N7O6
InChI InChI=1S/C41H47N7O6/c49-37-27-48(36(26-43-37)35(24-30-14-5-1-6-15-30)47-40(52)45-33-20-11-4-12-21-33)28-38(50)46-34(39(51)44-25-31-16-7-2-8-17-31)22-13-23-42-41(53)54-29-32-18-9-3-10-19-32/h1-12,14-21,34-36H,13,22-29H2,(H,42,53)(H,43,49)(H,44,51)(H,46,50)(H2,45,47,52)/t34?,35-,36+/m0/s1
InChIKey LFSNXBISJIQHRZ-CIDCSGNASA-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 733.867 g/mol
Solvent CDCl3
Source File Reference UWBT14758