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N(ALPHA)-TERT.-BUTYLCARBAMOYL-N(ALPHA),N(DELTA),N(DELTA)-TRIS-[3-(TERT.-BUTYLCARBAMOYLAMINO)-PROPYL]-ORNITHINE
SpectraBase Compound ID FXf06xSzqVQ
InChI InChI=1S/C34H65N5O10/c1-31(2,3)46-27(42)35-18-14-22-38(23-15-19-36-28(43)47-32(4,5)6)21-13-17-25(26(40)41)39(30(45)49-34(10,11)12)24-16-20-37-29(44)48-33(7,8)9/h25H,13-24H2,1-12H3,(H,35,42)(H,36,43)(H,37,44)(H,40,41)/t25-/m0/s1
InChIKey ZVEQMFGVWDPIKH-VWLOTQADSA-N
Mol Weight 703.9 g/mol
Molecular Formula C34H65N5O10
Exact Mass 703.473143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bo5WHuKzIRK
Name N(ALPHA)-TERT.-BUTYLCARBAMOYL-N(ALPHA),N(DELTA),N(DELTA)-TRIS-[3-(TERT.-BUTYLCARBAMOYLAMINO)-PROPYL]-ORNITHINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H65N5O10
InChI InChI=1S/C34H65N5O10/c1-31(2,3)46-27(42)35-18-14-22-38(23-15-19-36-28(43)47-32(4,5)6)21-13-17-25(26(40)41)39(30(45)49-34(10,11)12)24-16-20-37-29(44)48-33(7,8)9/h25H,13-24H2,1-12H3,(H,35,42)(H,36,43)(H,37,44)(H,40,41)/t25-/m0/s1
InChIKey ZVEQMFGVWDPIKH-VWLOTQADSA-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 703.918 g/mol
Sample ID 65150
Solvent CDCl3