| SpectraBase Compound ID | GZOo2TfHbnm |
|---|---|
| InChI | InChI=1S/C21H34N6O9/c1-8-17(31)22-9(2)20(34)27-6-4-5-11(27)18(32)24-10(3)25-19(33)16-13(26-21(35)23-8)15(30)14(29)12(7-28)36-16/h8-16,28-30H,4-7H2,1-3H3,(H,22,31)(H,24,32)(H,25,33)(H2,23,26,35)/t8?,9?,10?,11?,12-,13-,14-,15-,16-/m1/s1 |
| InChIKey | QGBVTNROWYLQGM-YSOVAYIMSA-N |
| Mol Weight | 514.5 g/mol |
| Molecular Formula | C21H34N6O9 |
| Exact Mass | 514.238727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuhFhPanT6K |
|---|---|
| Name | CYCLO-(-SAA4-ALA-D-PRO-ALA-ALA-);MINOR-CONFORMER |
| Compound Number | 36 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34N6O9 |
| InChI | InChI=1S/C21H34N6O9/c1-8-17(31)22-9(2)20(34)27-6-4-5-11(27)18(32)24-10(3)25-19(33)16-13(26-21(35)23-8)15(30)14(29)12(7-28)36-16/h8-16,28-30H,4-7H2,1-3H3,(H,22,31)(H,24,32)(H,25,33)(H2,23,26,35)/t8?,9?,10?,11?,12-,13-,14-,15-,16-/m1/s1 |
| InChIKey | QGBVTNROWYLQGM-YSOVAYIMSA-N |
| Literature Reference Author | E.G.V.ROEDERN,E.LOHOF,G.HESSLER,M.HOFFMANN,H.KESSLER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,10156(1996) |
| Literature Reference DOI | 10.1021/ja961068a |
| Molecular Weight | 514.536 g/mol |
| Sample ID | 53609 |
| Solvent | DMSO-D6 |