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ISOAGLEPTIN;(E)-2-[3-(METHYLTHIO)-PROPENOYLAMINO]-N-(PHENYLACETYL)-PYRROLIDINE
SpectraBase Compound ID IxfQHgtcV0a
InChI InChI=1S/C16H20N2O2S/c1-21-11-9-15(19)17-14-8-5-10-18(14)16(20)12-13-6-3-2-4-7-13/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3,(H,17,19)/b11-9+
InChIKey BGSFJYXXOZUXIG-PKNBQFBNSA-N
Mol Weight 304.41 g/mol
Molecular Formula C16H20N2O2S
Exact Mass 304.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FCn0LdNruS
Name ISOAGLEPTIN;(E)-2-[3-(METHYLTHIO)-PROPENOYLAMINO]-N-(PHENYLACETYL)-PYRROLIDINE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H20N2O2S
InChI InChI=1S/C16H20N2O2S/c1-21-11-9-15(19)17-14-8-5-10-18(14)16(20)12-13-6-3-2-4-7-13/h2-4,6-7,9,11,14H,5,8,10,12H2,1H3,(H,17,19)/b11-9+
InChIKey BGSFJYXXOZUXIG-PKNBQFBNSA-N
Literature Reference Author H.GREGER,T.PACHER,S.VAJRODAYA,M.BACHER,O.HOFER
Literature Reference Citation J.NAT.PROD.,63,616(2000)
Literature Reference DOI 10.1021/np990542y
Molecular Weight 304.407 g/mol
Solvent CD3OD
Source File Reference UWCS25259