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2-[BUTYRYL-[2-(4-METHYL-5-METHYLHYDROXY-ISOXAZOL-3-YL-SULFAMOYL)-BIPHENYL-4-YL-METHYL]-AMINO]-N-ISOPROPYL-3-METHYL-BUTYRAMIDE;ROTAMER-1

View entire compound with spectra: 2 NMR

2-[BUTYRYL-[2-(4-METHYL-5-METHYLHYDROXY-ISOXAZOL-3-YL-SULFAMOYL)-BIPHENYL-4-YL-METHYL]-AMINO]-N-ISOPROPYL-3-METHYL-BUTYRAMIDE;ROTAMER-1
SpectraBase Compound ID 2kBmBqBtYI2
InChI InChI=1S/C30H40N4O6S/c1-7-10-27(36)34(28(19(2)3)30(37)31-20(4)5)17-22-13-15-23(16-14-22)24-11-8-9-12-26(24)41(38,39)33-29-21(6)25(18-35)40-32-29/h8-9,11-16,19-20,28,35H,7,10,17-18H2,1-6H3,(H,31,37)(H,32,33)/t28-/m0/s1
InChIKey PKSNXUGISILDGE-NDEPHWFRSA-N
Mol Weight 584.7 g/mol
Molecular Formula C30H40N4O6S
Exact Mass 584.266856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7QvcWuC2qFh
Name 2-[BUTYRYL-[2-(4-METHYL-5-METHYLHYDROXY-ISOXAZOL-3-YL-SULFAMOYL)-BIPHENYL-4-YL-METHYL]-AMINO]-N-ISOPROPYL-3-METHYL-BUTYRAMIDE;ROTAMER-1
Compound Number M3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H40N4O6S
InChI InChI=1S/C30H40N4O6S/c1-7-10-27(36)34(28(19(2)3)30(37)31-20(4)5)17-22-13-15-23(16-14-22)24-11-8-9-12-26(24)41(38,39)33-29-21(6)25(18-35)40-32-29/h8-9,11-16,19-20,28,35H,7,10,17-18H2,1-6H3,(H,31,37)(H,32,33)/t28-/m0/s1
InChIKey PKSNXUGISILDGE-NDEPHWFRSA-N
Literature Reference Author H.ZHANG,D.ZHANG,W.LI,M.YAO,C.DARIENZO,Y.X.LI,W.R.EWING,Z.GU, Y.ZHU,N.MURUGESAN,W.
Literature Reference Citation DRUG.MET.DISP.,35,795(2007)
Literature Reference DOI 10.1124/dmd.106.012781
Molecular Weight 584.731 g/mol
Source File Reference UWLU74141