| SpectraBase Compound ID | sBL0f30At5 |
|---|---|
| InChI | InChI=1S/2C41H47N3O7S2/c2*1-40(2,3)51-39(48)44-33(26-29-18-10-6-11-19-29)36(45)43-35(28-53(5)49)37(46)42-34(38(47)50-4)27-52-41(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h2*6-25,33-35H,26-28H2,1-5H3,(H,42,46)(H,43,45)(H,44,48)/t2*33?,34?,35-,53?/m11/s1 |
| InChIKey | HTNSECPBSNONHY-RHKNBCDXSA-N |
| Mol Weight | 1515.9 g/mol |
| Molecular Formula | C82H94N6O14S4 |
| Exact Mass | 1514.571086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JlYIucuoYmf |
|---|---|
| Name | BOC-PHE-CYS((O)ME)-CYS(TRT)-OME |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C82H94N6O14S4 |
| InChI | InChI=1S/2C41H47N3O7S2/c2*1-40(2,3)51-39(48)44-33(26-29-18-10-6-11-19-29)36(45)43-35(28-53(5)49)37(46)42-34(38(47)50-4)27-52-41(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h2*6-25,33-35H,26-28H2,1-5H3,(H,42,46)(H,43,45)(H,44,48)/t2*33?,34?,35-,53?/m11/s1 |
| InChIKey | HTNSECPBSNONHY-RHKNBCDXSA-N |
| Literature Reference Author | M.MATTEUCCI,G.BHALAY,M.BRADLEY |
| Literature Reference Citation | ORG.LETTERS,5,235(2003) |
| Literature Reference DOI | 10.1021/ol026947i |
| Molecular Weight | 1515.920 g/mol |
| Sample ID | 48039 |
| Solvent | CDCl3 |