| SpectraBase Compound ID | RcRqYSb2Hv |
|---|---|
| InChI | InChI=1S/C32H44N4O10.ClH/c1-17(2)14-23(31(43)44-3)35-29(41)22(16-18-8-6-5-7-9-18)34-30(42)27-26(39)25(38)24(32(45-4)46-27)36-28(40)21(33)15-19-10-12-20(37)13-11-19;/h5-13,17,21-27,32,37-39H,14-16,33H2,1-4H3,(H,34,42)(H,35,41)(H,36,40);1H/t21?,22?,23?,24-,25-,26+,27+,32+;/m0./s1 |
| InChIKey | CDYIRUWQWISASC-AATFHBJDSA-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 | AVOpSwGzQCi |
|---|---|
| Name | H-TYR-SAA1-ALPHA-PHE-LEU-OME.HCL |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H45ClN4O10 |
| InChI | InChI=1S/C32H44N4O10.ClH/c1-17(2)14-23(31(43)44-3)35-29(41)22(16-18-8-6-5-7-9-18)34-30(42)27-26(39)25(38)24(32(45-4)46-27)36-28(40)21(33)15-19-10-12-20(37)13-11-19;/h5-13,17,21-27,32,37-39H,14-16,33H2,1-4H3,(H,34,42)(H,35,41)(H,36,40);1H/t21?,22?,23?,24-,25-,26+,27+,32+;/m0./s1 |
| InChIKey | CDYIRUWQWISASC-AATFHBJDSA-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 | 53604 |
| Solvent | DMSO-D6 |