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#15;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-PHENYLCARBAMOYL]-PROPYL-AMMONIUM-TRIFLUOROA

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#15;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-PHENYLCARBAMOYL]-PROPYL-AMMONIUM-TRIFLUOROA
SpectraBase Compound ID 8PNZDb0tJMZ
InChI InChI=1S/C30H28ClF3N4O6S/c1-16(28(42)43)38(29(44)30(32,33)34)27(41)22(35)10-11-24(39)36-20-8-4-18(5-9-20)26(40)37-14-12-23-21(13-15-45-23)25(37)17-2-6-19(31)7-3-17/h2-9,13,15-16,22,25H,10-12,14,35H2,1H3,(H,36,39)(H,42,43)/t16-,22-,25?/m1/s1
InChIKey GAPBHMRGLNMFCL-IIGFZZKMSA-N
Mol Weight 665.08 g/mol
Molecular Formula C30H28ClF3N4O6S
Exact Mass 664.137018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l99VCjXI6w
Name #15;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-PHENYLCARBAMOYL]-PROPYL-AMMONIUM-TRIFLUOROA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H28ClF3N4O6S
InChI InChI=1S/C30H28ClF3N4O6S/c1-16(28(42)43)38(29(44)30(32,33)34)27(41)22(35)10-11-24(39)36-20-8-4-18(5-9-20)26(40)37-14-12-23-21(13-15-45-23)25(37)17-2-6-19(31)7-3-17/h2-9,13,15-16,22,25H,10-12,14,35H2,1H3,(H,36,39)(H,42,43)/t16-,22-,25?/m1/s1
InChIKey GAPBHMRGLNMFCL-IIGFZZKMSA-N
Literature Reference Author G.M.FRIEDRICHSEN,P.JACOBSEN,M.TAUB,M.BEGTRUP
Literature Reference Citation BIOORG.MED.CHEM.,9,2625(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00066-9
Molecular Weight 665.084 g/mol
Solvent DMSO
Source File Reference UWMS22231