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N1-[2-((1S)-1-[(3-AMINOPROPY)-AMINO]-4-[DI-(3-AMINOPROPYL)-AMINO]-BUTYLCARBOXAMIDO)-ETHYL]-3,4-DI-(OLEYLOXY)-BENZAMIDE
SpectraBase Compound ID 8TkCn9b4p19
InChI InChI=1S/C59H111N7O4.5ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51-69-56-41-40-54(53-57(56)70-52-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58(67)64-46-47-65-59(68)55(63-45-36-42-60)39-35-48-66(49-37-43-61)50-38-44-62;;;;;/h17-20,40-41,53,55,63H,3-16,21-39,42-52,60-62H2,1-2H3,(H,64,67)(H,65,68);5*1H/b19-17-,20-18-;;;;;
InChIKey XUWJOLKERZXVGQ-MRAGVPACSA-N
Mol Weight 1164.89 g/mol
Molecular Formula C59H116Cl5N7O4
Exact Mass 1161.753144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3HzFQaqjKbs
Name N1-[2-((1S)-1-[(3-AMINOPROPY)-AMINO]-4-[DI-(3-AMINOPROPYL)-AMINO]-BUTYLCARBOXAMIDO)-ETHYL]-3,4-DI-(OLEYLOXY)-BENZAMIDE
Compound Number MVL5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H116Cl5N7O4
InChI InChI=1S/C59H111N7O4.5ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-51-69-56-41-40-54(53-57(56)70-52-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58(67)64-46-47-65-59(68)55(63-45-36-42-60)39-35-48-66(49-37-43-61)50-38-44-62;;;;;/h17-20,40-41,53,55,63H,3-16,21-39,42-52,60-62H2,1-2H3,(H,64,67)(H,65,68);5*1H/b19-17-,20-18-;;;;;
InChIKey XUWJOLKERZXVGQ-MRAGVPACSA-N
Literature Reference Author K.EWERT,A.AHMAD,H.M.EVANS,H.W.SCHMIDT,C.R.SAFINYA
Literature Reference Citation J.MED.CHEM.,45,5023(2002)
Literature Reference DOI 10.1021/jm020233w
Molecular Weight 1164.880 g/mol
Sample ID 65153
Solvent CDCl3:CD3OD=9:1