![3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid](/api/spectrum/JYNooY5FwlA/structure.png?h=300&w=458 "3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid")
| SpectraBase Compound ID | 1D8Nme0R3se |
|---|---|
| InChI | InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1 |
| InChIKey | LOXFXXGTOVWWQV-YKRRISCLSA-N |
| Mol Weight | 424.45 g/mol |
| Molecular Formula | C20H28N2O8 |
| Exact Mass | 424.184566 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYNooY5FwlA |
|---|---|
| Name | 3S-amino-5-{[1S-(3S,4-dihydro-8-hydroxy-1-oxo-1H-2-benzopyran-3-yl)-3-methylbutyl]carbamoyl}-4S,5S-dihydroxyvaleric acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28N2O8 |
| InChI | InChI=1S/C20H28N2O8/c1-9(2)6-12(22-19(28)18(27)17(26)11(21)8-15(24)25)14-7-10-4-3-5-13(23)16(10)20(29)30-14/h3-5,9,11-12,14,17-18,23,26-27H,6-8,21H2,1-2H3,(H,22,28)(H,24,25)/t11-,12-,14-,17-,18-/m0/s1 |
| InChIKey | LOXFXXGTOVWWQV-YKRRISCLSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43469M |
| Solvent | Polysol-d |