![(2R,3R/2S,3S)-N-[(3-CARBOXY-AZIRIDINE-2-YL)-CARBONYL]-(S)-LEUCYL-(S)-PROLINE-BENZYLESTER-TRIFLUOROACETATE](/api/spectrum/5S66kbzhn8e/structure.png?h=300&w=458 "(2R,3R/2S,3S)-N-[(3-CARBOXY-AZIRIDINE-2-YL)-CARBONYL]-(S)-LEUCYL-(S)-PROLINE-BENZYLESTER-TRIFLUOROACETATE")
| SpectraBase Compound ID | 1BACwYUS1oS |
|---|---|
| InChI | InChI=1S/2C24H28F3N3O8/c2*1-12(2)10-14(28-19(31)17-18(29-17)21(33)34)20(32)30-9-5-7-15(30)22(35)37-11-13-6-3-4-8-16(13)38-23(36)24(25,26)27/h2*3-4,6,8,12,14-15,17-18,29H,5,7,9-11H2,1-2H3,(H,28,31)(H,33,34)/t2*14?,15?,17-,18-/m10/s1 |
| InChIKey | NQBHCXAHZQMUCE-ZJGRWXNUSA-N |
| Mol Weight | 1086.99 g/mol |
| Molecular Formula | C48H56F6N6O16 |
| Exact Mass | 1086.365699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5S66kbzhn8e |
|---|---|
| Name | (2R,3R/2S,3S)-N-[(3-CARBOXY-AZIRIDINE-2-YL)-CARBONYL]-(S)-LEUCYL-(S)-PROLINE-BENZYLESTER-TRIFLUOROACETATE |
| Compound Number | 14A+B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H56F6N6O16 |
| InChI | InChI=1S/2C24H28F3N3O8/c2*1-12(2)10-14(28-19(31)17-18(29-17)21(33)34)20(32)30-9-5-7-15(30)22(35)37-11-13-6-3-4-8-16(13)38-23(36)24(25,26)27/h2*3-4,6,8,12,14-15,17-18,29H,5,7,9-11H2,1-2H3,(H,28,31)(H,33,34)/t2*14?,15?,17-,18-/m10/s1 |
| InChIKey | NQBHCXAHZQMUCE-ZJGRWXNUSA-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 | 1086.994 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN20240 |