| SpectraBase Compound ID | 7AZe1yPnZwR |
|---|---|
| InChI | InChI=1S/C21H33N3O7.C2HF3O2/c1-11(2)8-14(23-19(29)13(22)9-12-6-4-3-5-7-12)20(30)24-21-18(28)17(27)16(26)15(10-25)31-21;3-2(4,5)1(6)7/h3-7,11,13-18,21,25-28H,8-10,22H2,1-2H3,(H,23,29)(H,24,30);(H,6,7)/p-1/t13-,14-,15-,16-,17+,18-,21-;/m0./s1 |
| InChIKey | PSROFARLWCIWCZ-ZHHDEUBPSA-M |
| Mol Weight | 552.5 g/mol |
| Molecular Formula | C23H33F3N3O9 |
| Exact Mass | 552.216889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uBPgwo4Asl |
|---|---|
| Name | N-(L-PHENYLALANYL-L-LEUCYL)-BETA-D-GLUCOPYRANOSYLAMINE-TRIFLUOROACETATE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H33F3N3O9 |
| InChI | InChI=1S/C21H33N3O7.C2HF3O2/c1-11(2)8-14(23-19(29)13(22)9-12-6-4-3-5-7-12)20(30)24-21-18(28)17(27)16(26)15(10-25)31-21;3-2(4,5)1(6)7/h3-7,11,13-18,21,25-28H,8-10,22H2,1-2H3,(H,23,29)(H,24,30);(H,6,7)/p-1/t13-,14-,15-,16-,17+,18-,21-;/m0./s1 |
| InChIKey | PSROFARLWCIWCZ-ZHHDEUBPSA-M |
| Literature Reference Author | S.HORVAT,L.VARGA,J.HORVAT,A.PFUETZNER,H.SUHARTONO,H.RUEBSAME N-WAIGMANN |
| Literature Reference Citation | HELV.CHIM.ACTA,74,951(1991) |
| Literature Reference DOI | 10.1002/hlca.19910740505 |
| Molecular Weight | 552.525 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVP5972 |