| SpectraBase Compound ID | JpBsSSVFhox |
|---|---|
| InChI | InChI=1S/C42H76N6O12S/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(52)61-26-32(45-33(51)24-43-41(59)60-42(6,7)8)38(55)48-35(29(5)50)39(56)46-30(23-27(2)3)36(53)47-31(25-49)37(54)44-28(4)40(57)58/h27-32,35,49-50H,9-26H2,1-8H3,(H,43,59)(H,44,54)(H,45,51)(H,46,56)(H,47,53)(H,48,55)(H,57,58) |
| InChIKey | ZGRUNBOGOGIADE-UHFFFAOYSA-N |
| Mol Weight | 889.2 g/mol |
| Molecular Formula | C42H76N6O12S |
| Exact Mass | 888.524193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JLxYmtTalt |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYL-GLYCYL-(S-PALMITOYL)-L-CYSTEYL-L-THREONYL-L-LEUCYL-L-SERYL-L-ALANINE;BOC-GLY-CYS(PAL)-THR-LEU-SER-ALA-OH |
| Compound Number | 21 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H76N6O12S |
| InChI | InChI=1S/C42H76N6O12S/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(52)61-26-32(45-33(51)24-43-41(59)60-42(6,7)8)38(55)48-35(29(5)50)39(56)46-30(23-27(2)3)36(53)47-31(25-49)37(54)44-28(4)40(57)58/h27-32,35,49-50H,9-26H2,1-8H3,(H,43,59)(H,44,54)(H,45,51)(H,46,56)(H,47,53)(H,48,55)(H,57,58) |
| InChIKey | ZGRUNBOGOGIADE-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 | 889.158 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9604 |