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BIOT-3-(3);4-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-BUTYRIC-ACID
SpectraBase Compound ID 6VYEhjQ0Cu0
InChI InChI=1S/C14H23N3O4S/c18-11(15-7-3-6-12(19)20)5-2-1-4-10-13-9(8-22-10)16-14(21)17-13/h9-10,13H,1-8H2,(H,15,18)(H,19,20)(H2,16,17,21)/t9-,10-,13-/m0/s1
InChIKey DDXWHXMZPONLDF-KWBADKCTSA-N
Mol Weight 329.42 g/mol
Molecular Formula C14H23N3O4S
Exact Mass 329.140927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TQf5qbCaeH
Name BIOT-3-(3);4-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-BUTYRIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H23N3O4S
InChI InChI=1S/C14H23N3O4S/c18-11(15-7-3-6-12(19)20)5-2-1-4-10-13-9(8-22-10)16-14(21)17-13/h9-10,13H,1-8H2,(H,15,18)(H,19,20)(H2,16,17,21)/t9-,10-,13-/m0/s1
InChIKey DDXWHXMZPONLDF-KWBADKCTSA-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 329.414 g/mol
Solvent DMSO-D6
Source File Reference UWVN32477