| SpectraBase Compound ID | FodABEr7a55 |
|---|---|
| InChI | InChI=1S/C32H44N4O10.ClH/c1-17(2)13-23(32(44)45-3)36-30(42)22(15-18-7-5-4-6-8-18)35-31(43)28-27(40)26(39)25(38)24(46-28)16-34-29(41)21(33)14-19-9-11-20(37)12-10-19;/h4-12,17,21-28,37-40H,13-16,33H2,1-3H3,(H,34,41)(H,35,43)(H,36,42);1H/t21?,22?,23?,24-,25-,26+,27-,28-;/m0./s1 |
| InChIKey | UXOWHIRZOKEOAZ-LFCVXJMKSA-N |
| Mol Weight | 681.2 g/mol |
| Molecular Formula | C32H45ClN4O10 |
| Exact Mass | 680.282421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uyk7bnwX6f |
|---|---|
| Name | H-TYR-SAA2-PHE-LEU-OME.HCL |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H45ClN4O10 |
| InChI | InChI=1S/C32H44N4O10.ClH/c1-17(2)13-23(32(44)45-3)36-30(42)22(15-18-7-5-4-6-8-18)35-31(43)28-27(40)26(39)25(38)24(46-28)16-34-29(41)21(33)14-19-9-11-20(37)12-10-19;/h4-12,17,21-28,37-40H,13-16,33H2,1-3H3,(H,34,41)(H,35,43)(H,36,42);1H/t21?,22?,23?,24-,25-,26+,27-,28-;/m0./s1 |
| InChIKey | UXOWHIRZOKEOAZ-LFCVXJMKSA-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 | 681.183 g/mol |
| Sample ID | 53606 |
| Solvent | DMSO-D6 |