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N-[N'-[5-(1,2-DITHIOLAN-3-YL)-PENTANOYL]-GLYCYLGLYCYLGLYCYL]-L-THREONINOL
SpectraBase Compound ID KQQ1czHBxLK
InChI InChI=1S/C18H32N4O6S2/c1-12(24)14(11-23)22-18(28)10-21-17(27)9-20-16(26)8-19-15(25)5-3-2-4-13-6-7-29-30-13/h12-14,23-24H,2-11H2,1H3,(H,19,25)(H,20,26)(H,21,27)(H,22,28)/t12-,13?,14-/m1/s1
InChIKey FIJKDQPANOQRFG-WYAMFQBQSA-N
Mol Weight 464.6 g/mol
Molecular Formula C18H32N4O6S2
Exact Mass 464.176327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSRMtzwepzj
Name N-[N'-[5-(1,2-DITHIOLAN-3-YL)-PENTANOYL]-GLYCYLGLYCYLGLYCYL]-L-THREONINOL
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32N4O6S2
InChI InChI=1S/C18H32N4O6S2/c1-12(24)14(11-23)22-18(28)10-21-17(27)9-20-16(26)8-19-15(25)5-3-2-4-13-6-7-29-30-13/h12-14,23-24H,2-11H2,1H3,(H,19,25)(H,20,26)(H,21,27)(H,22,28)/t12-,13?,14-/m1/s1
InChIKey FIJKDQPANOQRFG-WYAMFQBQSA-N
Literature Reference Author S.PEREZ-RENTERO,S.GRIJALVO,G.PENUELAS,C.FABREGA,R.ERITJA
Literature Reference Citation MOLECULES,19,10495(2014)
Literature Reference DOI 10.3390/molecules190710495
Molecular Weight 464.595 g/mol
Solvent DMSO-D6
Source File Reference UWIR15310