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(2-S,5-S,8-S,11-S,E)-1-BENZYL_16-ETHYL_11-(3-AMINO-3-OXOPROPYL)-8-CYCLOHEXYL-5-ISOPROPYL-2-METHYL-4,7,10-TRIOXO-3,6,9,12-TETRAAZAHEXADEC-14-ENE-1,
SpectraBase Compound ID 3zwUmPlYoR9
InChI InChI=1S/C34H51N5O8/c1-5-46-28(41)17-12-20-36-26(18-19-27(35)40)31(42)39-30(25-15-10-7-11-16-25)33(44)38-29(22(2)3)32(43)37-23(4)34(45)47-21-24-13-8-6-9-14-24/h6,8-9,12-14,17,22-23,25-26,29-30,36H,5,7,10-11,15-16,18-21H2,1-4H3,(H2,35,40)(H,37,43)(H,38,44)(H,39,42)/b17-12+/t23-,26-,29-,30-/m0/s1
InChIKey IIFRDHOMHUOVSD-ZWCYNDOKSA-N
Mol Weight 657.8 g/mol
Molecular Formula C34H51N5O8
Exact Mass 657.373764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nht5w38sSG
Name (2-S,5-S,8-S,11-S,E)-1-BENZYL_16-ETHYL_11-(3-AMINO-3-OXOPROPYL)-8-CYCLOHEXYL-5-ISOPROPYL-2-METHYL-4,7,10-TRIOXO-3,6,9,12-TETRAAZAHEXADEC-14-ENE-1,
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H51N5O8
InChI InChI=1S/C34H51N5O8/c1-5-46-28(41)17-12-20-36-26(18-19-27(35)40)31(42)39-30(25-15-10-7-11-16-25)33(44)38-29(22(2)3)32(43)37-23(4)34(45)47-21-24-13-8-6-9-14-24/h6,8-9,12-14,17,22-23,25-26,29-30,36H,5,7,10-11,15-16,18-21H2,1-4H3,(H2,35,40)(H,37,43)(H,38,44)(H,39,42)/b17-12+/t23-,26-,29-,30-/m0/s1
InChIKey IIFRDHOMHUOVSD-ZWCYNDOKSA-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 657.808 g/mol
Solvent CDCl3
Source File Reference UWMZ46497