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N1-(1-[[3-([4-[(3-AMINOPROPYL)-AMINO]-BUTYL]-AMINO)-PROPYL]-CARBAMOYL]-3-CARBAMOYLPROPYL)-BENZAMIDE
SpectraBase Compound ID Gywi5qzpI6o
InChI InChI=1S/C22H38N6O3/c23-12-6-15-25-13-4-5-14-26-16-7-17-27-22(31)19(10-11-20(24)29)28-21(30)18-8-2-1-3-9-18/h1-3,8-9,19,25-26H,4-7,10-17,23H2,(H2,24,29)(H,27,31)(H,28,30)/t19-/m1/s1
InChIKey BNMPMSJYGZRDCO-LJQANCHMSA-N
Mol Weight 434.6 g/mol
Molecular Formula C22H38N6O3
Exact Mass 434.300539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5qRGURboBqm
Name N1-(1-[[3-([4-[(3-AMINOPROPYL)-AMINO]-BUTYL]-AMINO)-PROPYL]-CARBAMOYL]-3-CARBAMOYLPROPYL)-BENZAMIDE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H38N6O3
InChI InChI=1S/C22H38N6O3/c23-12-6-15-25-13-4-5-14-26-16-7-17-27-22(31)19(10-11-20(24)29)28-21(30)18-8-2-1-3-9-18/h1-3,8-9,19,25-26H,4-7,10-17,23H2,(H2,24,29)(H,27,31)(H,28,30)/t19-/m1/s1
InChIKey BNMPMSJYGZRDCO-LJQANCHMSA-N
Literature Reference Author G.J.BUENO,T.KLIMKAIT,I.H.GILBERT,C.SIMONS
Literature Reference Citation BIOORG.MED.CHEM.,11,87(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00305-X
Molecular Weight 434.582 g/mol
Sample ID 38438
Solvent CD3OD