| SpectraBase Compound ID | HKnO9bfr3Z3 |
|---|---|
| InChI | InChI=1S/C47H56Br2N3O12P/c1-32(2)26-40(45(56)60-28-34-14-10-7-11-15-34)50-44(55)41(31-63-65(58,61-29-35-16-20-37(48)21-17-35)62-30-36-18-22-38(49)23-19-36)51-43(54)39(52-46(57)64-47(3,4)5)24-25-42(53)59-27-33-12-8-6-9-13-33/h6-23,32,39-41H,24-31H2,1-5H3,(H,50,55)(H,51,54)(H,52,57)/t39-,40-,41-/m0/s1 |
| InChIKey | RGGRIFNAIVLSLO-YKXUKSTASA-N |
| Mol Weight | 1045.8 g/mol |
| Molecular Formula | C47H56Br2N3O12P |
| Exact Mass | 1043.196837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9G6pK1FWx67 |
|---|---|
| Name | N-ALPHA-(TERT.-BUTOXYCARBONYL)-O-(BENZYL)-GLUTAMYL-O-DI-(4-BROMOBENZYL)-PHOSPHONOSERYLLEUCINE-BENZYLESTER;BOC-GLU(OBZL)-SER(PO3BRBZL2)-LEU-OBZL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H56Br2N3O12P |
| InChI | InChI=1S/C47H56Br2N3O12P/c1-32(2)26-40(45(56)60-28-34-14-10-7-11-15-34)50-44(55)41(31-63-65(58,61-29-35-16-20-37(48)21-17-35)62-30-36-18-22-38(49)23-19-36)51-43(54)39(52-46(57)64-47(3,4)5)24-25-42(53)59-27-33-12-8-6-9-13-33/h6-23,32,39-41H,24-31H2,1-5H3,(H,50,55)(H,51,54)(H,52,57)/t39-,40-,41-/m0/s1 |
| InChIKey | RGGRIFNAIVLSLO-YKXUKSTASA-N |
| Literature Reference Author | J.W.PERICH,R.B.JOHNS |
| Literature Reference Citation | AUSTR.J.CHEM.,44,397(1991) |
| Literature Reference DOI | 10.1071/ch9910397 |
| Molecular Weight | 1045.756 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED15764 |