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#14;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-BENZYLCARBAMOYL]-PROPYL-AMMONIUM-TRIFLUOROA

View entire compound with spectra: 1 NMR

#14;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-BENZYLCARBAMOYL]-PROPYL-AMMONIUM-TRIFLUOROA
SpectraBase Compound ID GprntRzinOQ
InChI InChI=1S/C31H30ClF3N4O6S/c1-17(29(43)44)39(30(45)31(33,34)35)28(42)23(36)10-11-25(40)37-16-18-2-4-20(5-3-18)27(41)38-14-12-24-22(13-15-46-24)26(38)19-6-8-21(32)9-7-19/h2-9,13,15,17,23,26H,10-12,14,16,36H2,1H3,(H,37,40)(H,43,44)/t17-,23-,26?/m0/s1
InChIKey VLTOEMROZCDFGI-UPGQQFAESA-N
Mol Weight 679.11 g/mol
Molecular Formula C31H30ClF3N4O6S
Exact Mass 678.152668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpIEmz5pqFe
Name #14;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-BENZYLCARBAMOYL]-PROPYL-AMMONIUM-TRIFLUOROA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30ClF3N4O6S
InChI InChI=1S/C31H30ClF3N4O6S/c1-17(29(43)44)39(30(45)31(33,34)35)28(42)23(36)10-11-25(40)37-16-18-2-4-20(5-3-18)27(41)38-14-12-24-22(13-15-46-24)26(38)19-6-8-21(32)9-7-19/h2-9,13,15,17,23,26H,10-12,14,16,36H2,1H3,(H,37,40)(H,43,44)/t17-,23-,26?/m0/s1
InChIKey VLTOEMROZCDFGI-UPGQQFAESA-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 679.111 g/mol
Solvent DMSO
Source File Reference UWMS22230