| SpectraBase Compound ID | I776KYpHJhx |
|---|---|
| InChI | InChI=1S/C47H87N7O12S.BrH/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-39(58)67-31-37(50-38(57)29-48-46(64)66-47(6,7)8)43(61)53-40(34(5)56)44(62)51-35(28-32(2)3)41(59)52-36(30-55)42(60)49-33(4)45(63)65-27-26-54(9,10)11;/h32-37,40,55-56H,12-31H2,1-11H3,(H5-,48,49,50,51,52,53,57,59,60,61,62,64);1H |
| InChIKey | ZYENRCRCTWUKLK-UHFFFAOYSA-N |
| Mol Weight | 1055.2 g/mol |
| Molecular Formula | C47H88BrN7O12S |
| Exact Mass | 1053.539505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeBFcnDjSlJ |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYL-GLYCYL-(S-PALMITOYL)-L-CYSTEYL-L-THREONYL-L-LEUCYL-L-SERYL-L-ALANINE-CHOLINE-ESTER-BROMIDE;BOC-GLY-CYS(PAL)-THR-LEU-SER-A |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H88BrN7O12S |
| InChI | InChI=1S/C47H87N7O12S.BrH/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-39(58)67-31-37(50-38(57)29-48-46(64)66-47(6,7)8)43(61)53-40(34(5)56)44(62)51-35(28-32(2)3)41(59)52-36(30-55)42(60)49-33(4)45(63)65-27-26-54(9,10)11;/h32-37,40,55-56H,12-31H2,1-11H3,(H5-,48,49,50,51,52,53,57,59,60,61,62,64);1H |
| InChIKey | ZYENRCRCTWUKLK-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 | 1055.219 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU9603 |