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(2S,4S)-N-[(2S)-N-(TERT.-BUTOXYCARBONYL)-PROLYL]-4-(ACETYLTHIO)-PROLINE-METHYLAMIDE
SpectraBase Compound ID 6YNLbsm33v8
InChI InChI=1S/C18H29N3O5S/c1-11(22)27-12-9-14(15(23)19-5)21(10-12)16(24)13-7-6-8-20(13)17(25)26-18(2,3)4/h12-14H,6-10H2,1-5H3,(H,19,23)/t12-,13-,14-/m0/s1
InChIKey OFUWYHHGCJXUFR-IHRRRGAJSA-N
Mol Weight 399.51 g/mol
Molecular Formula C18H29N3O5S
Exact Mass 399.182792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37rn6seS61i
Name (2S,4S)-N-[(2S)-N-(TERT.-BUTOXYCARBONYL)-PROLYL]-4-(ACETYLTHIO)-PROLINE-METHYLAMIDE
Compound Number CT;43
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H29N3O5S
InChI InChI=1S/C18H29N3O5S/c1-11(22)27-12-9-14(15(23)19-5)21(10-12)16(24)13-7-6-8-20(13)17(25)26-18(2,3)4/h12-14H,6-10H2,1-5H3,(H,19,23)/t12-,13-,14-/m0/s1
InChIKey OFUWYHHGCJXUFR-IHRRRGAJSA-N
Literature Reference Author A.LEWIS,J.WILKIE,T.J.RUTHERFORD,D.GANI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3777(1998)
Literature Reference DOI 10.1039/a806030d
Molecular Weight 399.505 g/mol
Solvent CDCl3
Source File Reference UWCP9357