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(3'S,5R/S)-5-[N-[3-AMINO-6-(1-METHYLGUANIDIN-1-YL)-HEXANOYL]-N-METHYAMINO]-5,6-DIHYDRO-2-UREIDOPYRIMID-4(1H)-ONE-DIHYDROCHLORIDE

View entire compound with spectra: 1 NMR

(3'S,5R/S)-5-[N-[3-AMINO-6-(1-METHYLGUANIDIN-1-YL)-HEXANOYL]-N-METHYAMINO]-5,6-DIHYDRO-2-UREIDOPYRIMID-4(1H)-ONE-DIHYDROCHLORIDE
SpectraBase Compound ID C0wnbhAyDvN
InChI InChI=1S/2C14H27N9O3.4ClH/c2*1-22(12(16)17)5-3-4-8(15)6-10(24)23(2)9-7-19-14(20-11(9)25)21-13(18)26;;;;/h2*8-9H,3-7,15H2,1-2H3,(H3,16,17)(H4,18,19,20,21,25,26);4*1H/t2*8-,9?;;;;/m00..../s1
InChIKey FYLNQMUKOQFOQO-GGJYYZTBSA-N
Mol Weight 884.7 g/mol
Molecular Formula C28H58Cl4N18O6
Exact Mass 882.354082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hkJiYQLFJA
Name (3'S,5R/S)-5-[N-[3-AMINO-6-(1-METHYLGUANIDIN-1-YL)-HEXANOYL]-N-METHYAMINO]-5,6-DIHYDRO-2-UREIDOPYRIMID-4(1H)-ONE-DIHYDROCHLORIDE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H58Cl4N18O6
InChI InChI=1S/2C14H27N9O3.4ClH/c2*1-22(12(16)17)5-3-4-8(15)6-10(24)23(2)9-7-19-14(20-11(9)25)21-13(18)26;;;;/h2*8-9H,3-7,15H2,1-2H3,(H3,16,17)(H4,18,19,20,21,25,26);4*1H/t2*8-,9?;;;;/m00..../s1
InChIKey FYLNQMUKOQFOQO-GGJYYZTBSA-N
Literature Reference Author M.BRANDS,R.ENDERMANN,R.GAHLMANN,J.KRUEGER,S.RADDATZ,J.STOLTE FU,V.N.BELOV,S.NIZAM
Literature Reference Citation J.MED.CHEM.,45,4246(2002)
Literature Reference DOI 10.1021/jm0111191
Molecular Weight 884.698 g/mol
Sample ID 65090
Solvent CD3OD