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(E)-1-[(3,4-DIMETHOXYCINNAMOYL)-AMINO]-5-GUANIDINOPENTANE-MESYLATE
SpectraBase Compound ID rIV285YMko
InChI InChI=1S/C17H26N4O3.CH4O3S/c1-23-14-8-6-13(12-15(14)24-2)7-9-16(22)20-10-4-3-5-11-21-17(18)19;1-5(2,3)4/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,22)(H4,18,19,21);1H3,(H,2,3,4)/b9-7+;
InChIKey USIUXSUQXBMTKN-BXTVWIJMSA-N
Mol Weight 430.52 g/mol
Molecular Formula C18H30N4O6S
Exact Mass 430.188606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cm60PlLtG6g
Name (E)-1-[(3,4-DIMETHOXYCINNAMOYL)-AMINO]-5-GUANIDINOPENTANE-MESYLATE
Compound Number 10D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30N4O6S
InChI InChI=1S/C17H26N4O3.CH4O3S/c1-23-14-8-6-13(12-15(14)24-2)7-9-16(22)20-10-4-3-5-11-21-17(18)19;1-5(2,3)4/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,22)(H4,18,19,21);1H3,(H,2,3,4)/b9-7+;
InChIKey USIUXSUQXBMTKN-BXTVWIJMSA-N
Literature Reference Author M.CARMIGNANI,A.R.VOLPE,B.BOTTA,R.ESPINAL,S.C.D.BONNEVAUX,C.D .L.M.BOTTA,F.CORELLI
Literature Reference Citation J.MED.CHEM.,44,2950(2001)
Literature Reference DOI 10.1021/jm001017v
Molecular Weight 430.519 g/mol
Sample ID 52829
Solvent Unknown