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(2-S,5-S,8-S,11-S,E)-1-AMIDE_16-HYDROXY-11-(3-AMINO-3-OXOPROPYL)-8-(2-METHYLPROPYL)-5-ISOPROPYL-2-ISOPROPYL-4,7,10,13-TETRAOXO-3,6,9,12-TETRAAZAHE

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(2-S,5-S,8-S,11-S,E)-1-AMIDE_16-HYDROXY-11-(3-AMINO-3-OXOPROPYL)-8-(2-METHYLPROPYL)-5-ISOPROPYL-2-ISOPROPYL-4,7,10,13-TETRAOXO-3,6,9,12-TETRAAZAHE
SpectraBase Compound ID BuumXEYgiy2
InChI InChI=1S/C25H44N6O7/c1-13(2)12-17(29-23(36)16(9-10-18(26)33)28-19(34)8-7-11-32)24(37)31-21(15(5)6)25(38)30-20(14(3)4)22(27)35/h7-8,13-17,20-21,32H,9-12H2,1-6H3,(H2,26,33)(H2,27,35)(H,28,34)(H,29,36)(H,30,38)(H,31,37)/b8-7+/t16-,17-,20-,21-/m0/s1
InChIKey PEJQFHJPYDAZMP-OCKVUMQDSA-N
Mol Weight 540.7 g/mol
Molecular Formula C25H44N6O7
Exact Mass 540.327148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 258pMIrkRLh
Name (2-S,5-S,8-S,11-S,E)-1-AMIDE_16-HYDROXY-11-(3-AMINO-3-OXOPROPYL)-8-(2-METHYLPROPYL)-5-ISOPROPYL-2-ISOPROPYL-4,7,10,13-TETRAOXO-3,6,9,12-TETRAAZAHE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44N6O7
InChI InChI=1S/C25H44N6O7/c1-13(2)12-17(29-23(36)16(9-10-18(26)33)28-19(34)8-7-11-32)24(37)31-21(15(5)6)25(38)30-20(14(3)4)22(27)35/h7-8,13-17,20-21,32H,9-12H2,1-6H3,(H2,26,33)(H2,27,35)(H,28,34)(H,29,36)(H,30,38)(H,31,37)/b8-7+/t16-,17-,20-,21-/m0/s1
InChIKey PEJQFHJPYDAZMP-OCKVUMQDSA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 540.660 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46510