| SpectraBase Compound ID | 3xMos69Via8 |
|---|---|
| InChI | InChI=1S/C29H54N2O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-37-24-25(27(33)35-21-7-2)31-26(32)23-30-28(34)36-29(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3,(H,30,34)(H,31,32) |
| InChIKey | YXSMCSKPORWWGD-UHFFFAOYSA-N |
| Mol Weight | 542.8 g/mol |
| Molecular Formula | C29H54N2O5S |
| Exact Mass | 542.375344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CE0Me4o386O |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYL-GLYCYL-(S-HEXADECYL)-L-CYSTEINE-ALLYLESTER;BOC-GLY-CYS(HD)-OALL |
| Compound Number | 35 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H54N2O5S |
| InChI | InChI=1S/C29H54N2O5S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-37-24-25(27(33)35-21-7-2)31-26(32)23-30-28(34)36-29(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3,(H,30,34)(H,31,32) |
| InChIKey | YXSMCSKPORWWGD-UHFFFAOYSA-N |
| Literature Reference Author | A.COTTE,B.BADER,J.KUHLMANN,H.WALDMANN |
| Literature Reference Citation | CHEM.EUR.J.,5,922(1999) |
| Literature Reference DOI | 10.1002/(sici)1521-3765(19990301)5:3<922::aid-chem922>3.3.co;2-f |
| Molecular Weight | 542.818 g/mol |
| Solvent | CDCl3 |