| SpectraBase Compound ID | x6WO1Y5u1r |
|---|---|
| InChI | InChI=1S/C41H77N5O9S.BrH/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(49)56-29-33(43-34(48)28-42-40(53)55-41(5,6)7)37(50)45-36(31(4)47)38(51)44-32(27-30(2)3)39(52)54-26-25-46(8,9)10;/h30-33,36,47H,11-29H2,1-10H3,(H3-,42,43,44,45,48,50,51,53);1H |
| InChIKey | KUBHHCAGZLFDLD-UHFFFAOYSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C41H78BrN5O9S |
| Exact Mass | 895.470363 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5KI9bP77Bu |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYL-GLYCYL-(S-PALMITOYL)-L-CYSTEYL-L-THREONYL-L-LEUCINE-CHOLINE-ESTER-BROMIDE;BOC-GLY-CYS(PAL)-THR-LEU-CHO |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H78BrN5O9S |
| InChI | InChI=1S/C41H77N5O9S.BrH/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(49)56-29-33(43-34(48)28-42-40(53)55-41(5,6)7)37(50)45-36(31(4)47)38(51)44-32(27-30(2)3)39(52)54-26-25-46(8,9)10;/h30-33,36,47H,11-29H2,1-10H3,(H3-,42,43,44,45,48,50,51,53);1H |
| InChIKey | KUBHHCAGZLFDLD-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 | 897.062 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9599 |