![BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H4(4-COOH)]-LEU-OBZL](/api/spectrum/9rlrLSZFV8T/structure.png?h=300&w=458 "BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H4(4-COOH)]-LEU-OBZL")
| SpectraBase Compound ID | K3KOIVRM1MG |
|---|---|
| InChI | InChI=1S/C43H55N3O13S/c1-27(2)24-35(40(52)56-26-29-12-10-9-11-13-29)45-38(49)34(44-37(48)33(46-41(53)58-43(6,7)8)22-23-36(47)57-42(3,4)5)25-28-14-18-31(19-15-28)59-60(54,55)32-20-16-30(17-21-32)39(50)51/h9-21,27,33-35H,22-26H2,1-8H3,(H,44,48)(H,45,49)(H,46,53)(H,50,51)/t33-,34+,35-/m1/s1 |
| InChIKey | HGEBQTOYJDVZJW-GVBYMILNSA-N |
| Mol Weight | 854.0 g/mol |
| Molecular Formula | C43H55N3O13S |
| Exact Mass | 853.34556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rlrLSZFV8T |
|---|---|
| Name | BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H4(4-COOH)]-LEU-OBZL |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H55N3O13S |
| InChI | InChI=1S/C43H55N3O13S/c1-27(2)24-35(40(52)56-26-29-12-10-9-11-13-29)45-38(49)34(44-37(48)33(46-41(53)58-43(6,7)8)22-23-36(47)57-42(3,4)5)25-28-14-18-31(19-15-28)59-60(54,55)32-20-16-30(17-21-32)39(50)51/h9-21,27,33-35H,22-26H2,1-8H3,(H,44,48)(H,45,49)(H,46,53)(H,50,51)/t33-,34+,35-/m1/s1 |
| InChIKey | HGEBQTOYJDVZJW-GVBYMILNSA-N |
| Literature Reference Author | G.ROSSE,U.SEQUIN,H.METT,P.FURET,P.TRAXLER,H.FRETZ |
| Literature Reference Citation | HELV.CHIM.ACTA,80,653(1997) |
| Literature Reference DOI | 10.1002/hlca.19970800304 |
| Molecular Weight | 853.982 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP3881 |