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BIOT-3-(5);6-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-HEXANOIC-ACID

View entire compound with spectra: 1 NMR

BIOT-3-(5);6-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-HEXANOIC-ACID
SpectraBase Compound ID Keo7ehxHOoo
InChI InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
InChIKey CMUGHZFPFWNUQT-HUBLWGQQSA-N
Mol Weight 357.47 g/mol
Molecular Formula C16H27N3O4S
Exact Mass 357.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sB5Og5T1sK
Name BIOT-3-(5);6-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-PENTANOYLAMINO]-HEXANOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27N3O4S
InChI InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1
InChIKey CMUGHZFPFWNUQT-HUBLWGQQSA-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 357.468 g/mol
Solvent DMSO-D6
Source File Reference UWVN32479