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BIOT-3-(2);3-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-PROPIONIC-ACID
SpectraBase Compound ID HJb8K76DLXx
InChI InChI=1S/C13H21N3O4S/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12/h8-9,12H,1-7H2,(H,14,17)(H,18,19)(H2,15,16,20)/t8-,9-,12-/m0/s1
InChIKey KHLNNZMNFAFRMJ-AUTRQRHGSA-N
Mol Weight 315.39 g/mol
Molecular Formula C13H21N3O4S
Exact Mass 315.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4b4dwULlXrF
Name BIOT-3-(2);3-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-PROPIONIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21N3O4S
InChI InChI=1S/C13H21N3O4S/c17-10(14-6-5-11(18)19)4-2-1-3-9-12-8(7-21-9)15-13(20)16-12/h8-9,12H,1-7H2,(H,14,17)(H,18,19)(H2,15,16,20)/t8-,9-,12-/m0/s1
InChIKey KHLNNZMNFAFRMJ-AUTRQRHGSA-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 315.387 g/mol
Solvent DMSO-D6
Source File Reference UWVN32476