![BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL](/api/spectrum/3sAQNjHff5b/structure.png?h=300&w=458 "BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL")
| SpectraBase Compound ID | KIMQDgNt7tS |
|---|---|
| InChI | InChI=1S/C43H55N3O14S/c1-26(2)22-34(40(53)57-25-28-12-10-9-11-13-28)45-38(50)33(44-37(49)32(46-41(54)59-43(6,7)8)20-21-36(48)58-42(3,4)5)23-27-14-16-29(17-15-27)60-61(55,56)30-18-19-31(39(51)52)35(47)24-30/h9-19,24,26,32-34,47H,20-23,25H2,1-8H3,(H,44,49)(H,45,50)(H,46,54)(H,51,52)/t32-,33+,34-/m1/s1 |
| InChIKey | LGFFUBPUUPCDOW-OUYGKKDFSA-N |
| Mol Weight | 870.0 g/mol |
| Molecular Formula | C43H55N3O14S |
| Exact Mass | 869.340475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3sAQNjHff5b |
|---|---|
| Name | BOC-GLU-(O-TERT.-BUTYL)-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H55N3O14S |
| InChI | InChI=1S/C43H55N3O14S/c1-26(2)22-34(40(53)57-25-28-12-10-9-11-13-28)45-38(50)33(44-37(49)32(46-41(54)59-43(6,7)8)20-21-36(48)58-42(3,4)5)23-27-14-16-29(17-15-27)60-61(55,56)30-18-19-31(39(51)52)35(47)24-30/h9-19,24,26,32-34,47H,20-23,25H2,1-8H3,(H,44,49)(H,45,50)(H,46,54)(H,51,52)/t32-,33+,34-/m1/s1 |
| InChIKey | LGFFUBPUUPCDOW-OUYGKKDFSA-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 | 869.981 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP3882 |