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N1-[3-([4-[(3-AMINOPROPYL)-AMINO]-BUTYL]-AMINO)-PROPYL]-2-[(5-AMINO-1-[[9H-9-FLUORENYLMETHOXY]-CARBOXAMIDO]-PENTYL)-CARBOXAMIDO]-PENTANEDIAMINE
SpectraBase Compound ID IlqrO78dvm8
InChI InChI=1S/C36H56N8O5/c37-18-6-5-15-31(44-36(48)49-25-30-28-13-3-1-11-26(28)27-12-2-4-14-29(27)30)35(47)43-32(16-17-33(39)45)34(46)42-24-10-23-41-21-8-7-20-40-22-9-19-38/h1-4,11-14,30-32,40-41H,5-10,15-25,37-38H2,(H2,39,45)(H,42,46)(H,43,47)(H,44,48)/t31-,32+/m1/s1
InChIKey UMVIRIMBUHSBHT-ZWXJPIIXSA-N
Mol Weight 680.9 g/mol
Molecular Formula C36H56N8O5
Exact Mass 680.437367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OMgic6R1bI
Name N1-[3-([4-[(3-AMINOPROPYL)-AMINO]-BUTYL]-AMINO)-PROPYL]-2-[(5-AMINO-1-[[9H-9-FLUORENYLMETHOXY]-CARBOXAMIDO]-PENTYL)-CARBOXAMIDO]-PENTANEDIAMINE
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56N8O5
InChI InChI=1S/C36H56N8O5/c37-18-6-5-15-31(44-36(48)49-25-30-28-13-3-1-11-26(28)27-12-2-4-14-29(27)30)35(47)43-32(16-17-33(39)45)34(46)42-24-10-23-41-21-8-7-20-40-22-9-19-38/h1-4,11-14,30-32,40-41H,5-10,15-25,37-38H2,(H2,39,45)(H,42,46)(H,43,47)(H,44,48)/t31-,32+/m1/s1
InChIKey UMVIRIMBUHSBHT-ZWXJPIIXSA-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 680.891 g/mol
Sample ID 38440
Solvent CD3OD