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(2S,3S)-N-[1-[N-(TERT.-BUTOXYCARBONYL)-(S)-PHENYLALANYL]-3-ETHOXYCARBONYL-AZIRIDINE-2-YL-CARBONYL]-(S)-LEUCYL-(S)-PROLINE
SpectraBase Compound ID 98UuXNUg1Ia
InChI InChI=1S/C31H44N4O9/c1-7-43-29(41)24-23(25(36)32-20(16-18(2)3)26(37)34-15-11-14-22(34)28(39)40)35(24)27(38)21(17-19-12-9-8-10-13-19)33-30(42)44-31(4,5)6/h8-10,12-13,18,20-24H,7,11,14-17H2,1-6H3,(H,32,36)(H,33,42)(H,39,40)/t20?,21?,22?,23-,24-,35?/m0/s1
InChIKey KIUFCTMKKOOWBI-IJKYCAAMSA-N
Mol Weight 616.7 g/mol
Molecular Formula C31H44N4O9
Exact Mass 616.310829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BH6IwDEg6nK
Name (2S,3S)-N-[1-[N-(TERT.-BUTOXYCARBONYL)-(S)-PHENYLALANYL]-3-ETHOXYCARBONYL-AZIRIDINE-2-YL-CARBONYL]-(S)-LEUCYL-(S)-PROLINE
Compound Number 26B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H44N4O9
InChI InChI=1S/C31H44N4O9/c1-7-43-29(41)24-23(25(36)32-20(16-18(2)3)26(37)34-15-11-14-22(34)28(39)40)35(24)27(38)21(17-19-12-9-8-10-13-19)33-30(42)44-31(4,5)6/h8-10,12-13,18,20-24H,7,11,14-17H2,1-6H3,(H,32,36)(H,33,42)(H,39,40)/t20?,21?,22?,23-,24-,35?/m0/s1
InChIKey KIUFCTMKKOOWBI-IJKYCAAMSA-N
Literature Reference Author T.SCHIRMEISTER,M.PERIC
Literature Reference Citation BIOORG.MED.CHEM.,8,1281(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00058-4
Molecular Weight 616.712 g/mol
Solvent CDCl3
Source File Reference UWVN20247