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BIOT-3-(4);5-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-PENTANOIC-ACID
SpectraBase Compound ID 11nn1uF75IV
InChI InChI=1S/C15H25N3O4S/c19-12(16-8-4-3-7-13(20)21)6-2-1-5-11-14-10(9-23-11)17-15(22)18-14/h10-11,14H,1-9H2,(H,16,19)(H,20,21)(H2,17,18,22)/t10-,11-,14-/m0/s1
InChIKey BOPWGSSJXAVKLP-MJVIPROJSA-N
Mol Weight 343.44 g/mol
Molecular Formula C15H25N3O4S
Exact Mass 343.156577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lx3ysDGa6tZ
Name BIOT-3-(4);5-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-PENTANOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H25N3O4S
InChI InChI=1S/C15H25N3O4S/c19-12(16-8-4-3-7-13(20)21)6-2-1-5-11-14-10(9-23-11)17-15(22)18-14/h10-11,14H,1-9H2,(H,16,19)(H,20,21)(H2,17,18,22)/t10-,11-,14-/m0/s1
InChIKey BOPWGSSJXAVKLP-MJVIPROJSA-N
Literature Reference Author M.SKANDER,N.HUMBERT,J.COLLOT,J.GRADINARU,G.KLEIN,A.LOOSLI,J. SAUSER,A.ZOCCHI,F.GI
Literature Reference Citation J.AM.CHEM.SOC.,126,14411(2004)
Literature Reference DOI 10.1021/ja0476718
Molecular Weight 343.441 g/mol
Solvent DMSO-D6
Source File Reference UWVN32478