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BIOT-3-(1);[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-ACETIC-ACID
SpectraBase Compound ID 5qn86T9Vmxl
InChI InChI=1S/C12H19N3O4S/c16-9(13-5-10(17)18)4-2-1-3-8-11-7(6-20-8)14-12(19)15-11/h7-8,11H,1-6H2,(H,13,16)(H,17,18)(H2,14,15,19)/t7-,8-,11-/m0/s1
InChIKey CCNCEKNYUXATHY-LAEOZQHASA-N
Mol Weight 301.36 g/mol
Molecular Formula C12H19N3O4S
Exact Mass 301.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4h4LQlVn23t
Name BIOT-3-(1);[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-ACETIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H19N3O4S
InChI InChI=1S/C12H19N3O4S/c16-9(13-5-10(17)18)4-2-1-3-8-11-7(6-20-8)14-12(19)15-11/h7-8,11H,1-6H2,(H,13,16)(H,17,18)(H2,14,15,19)/t7-,8-,11-/m0/s1
InChIKey CCNCEKNYUXATHY-LAEOZQHASA-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 301.361 g/mol
Solvent DMSO-D6
Source File Reference UWVN32475