| SpectraBase Compound ID | 5UaZzFRXdmV |
|---|---|
| InChI | InChI=1S/C57H86N4O5/c1-6-8-10-12-14-16-18-20-22-33-41-64-46-52(65-42-34-23-21-19-17-15-13-11-9-7-2)44-58-54(62)53(60-55(63)66-56(3,4)5)43-51-45-61(47-59-51)57(48-35-27-24-28-36-48,49-37-29-25-30-38-49)50-39-31-26-32-40-50/h24-32,35-40,45,47,52-53H,6-23,33-34,41-44,46H2,1-5H3,(H,58,62)(H,60,63) |
| InChIKey | AKEFXWLMTTUVRO-UHFFFAOYSA-N |
| Mol Weight | 907.3 g/mol |
| Molecular Formula | C57H86N4O5 |
| Exact Mass | 906.659822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Fo9yWewqJt |
|---|---|
| Name | N-ALPHA-BUTYLOXYCARBONYL-N-IM-TRITYL-L-HISTIDINE-(2,3-DILAURYLOXY)-PROPYLAMIDE |
| Compound Number | 52 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H86N4O5 |
| InChI | InChI=1S/C57H86N4O5/c1-6-8-10-12-14-16-18-20-22-33-41-64-46-52(65-42-34-23-21-19-17-15-13-11-9-7-2)44-58-54(62)53(60-55(63)66-56(3,4)5)43-51-45-61(47-59-51)57(48-35-27-24-28-36-48,49-37-29-25-30-38-49)50-39-31-26-32-40-50/h24-32,35-40,45,47,52-53H,6-23,33-34,41-44,46H2,1-5H3,(H,58,62)(H,60,63) |
| InChIKey | AKEFXWLMTTUVRO-UHFFFAOYSA-N |
| Literature Reference Author | J.A.HEYES,D.NICULESCU-DUVAZ,R.G.COOPER,C.J.SPRINGER |
| Literature Reference Citation | J.MED.CHEM.,45,99(2002) |
| Literature Reference DOI | 10.1021/jm010918g |
| Molecular Weight | 907.334 g/mol |
| Sample ID | 64122 |
| Solvent | CDCl3 |