![(2S,3S)-N-[1-[N-(TERT.-BUTOXYCARBONYL)-(S)-PHENYLALANYL]-3-ETHOXYCARBONYL-AZIRIDINE-2-YL-CARBONYL]-(S)-LEUCYL-(S)-PROLINE](/api/spectrum/BH6IwDEg6nK/structure.png?h=300&w=458 "(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
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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 |