![H-GLU-TYR-[SO2C6H3(3-OH)[4-(CO-A)]]-LEU-OBZL](/api/spectrum/EaH4R3FYjVB/structure.png?h=300&w=458 "H-GLU-TYR-[SO2C6H3(3-OH)[4-(CO-A)]]-LEU-OBZL")
| SpectraBase Compound ID | BrzROsDu2L6 |
|---|---|
| InChI | InChI=1S/C44H50N8O15S/c1-23(2)16-31(44(61)64-19-25-6-4-3-5-7-25)51-41(59)30(50-40(58)29(45)14-15-34(54)55)17-24-8-10-26(11-9-24)67-68(62,63)27-12-13-28(32(53)18-27)43(60)65-20-33-36(56)37(57)42(66-33)52-22-49-35-38(46)47-21-48-39(35)52/h3-13,18,21-23,29-31,33,36-37,42,53,56-57H,14-17,19-20,45H2,1-2H3,(H,50,58)(H,51,59)(H,54,55)(H2,46,47,48)/t29-,30-,31+,33+,36+,37+,42+/m1/s1 |
| InChIKey | BITXXFHNBUMJRQ-RGCWJYPFSA-N |
| Mol Weight | 963.0 g/mol |
| Molecular Formula | C44H50N8O15S |
| Exact Mass | 962.311634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EaH4R3FYjVB |
|---|---|
| Name | H-GLU-TYR-[SO2C6H3(3-OH)[4-(CO-A)]]-LEU-OBZL |
| Compound Number | 24 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H50N8O15S |
| InChI | InChI=1S/C44H50N8O15S/c1-23(2)16-31(44(61)64-19-25-6-4-3-5-7-25)51-41(59)30(50-40(58)29(45)14-15-34(54)55)17-24-8-10-26(11-9-24)67-68(62,63)27-12-13-28(32(53)18-27)43(60)65-20-33-36(56)37(57)42(66-33)52-22-49-35-38(46)47-21-48-39(35)52/h3-13,18,21-23,29-31,33,36-37,42,53,56-57H,14-17,19-20,45H2,1-2H3,(H,50,58)(H,51,59)(H,54,55)(H2,46,47,48)/t29-,30-,31+,33+,36+,37+,42+/m1/s1 |
| InChIKey | BITXXFHNBUMJRQ-RGCWJYPFSA-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 | 962.986 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP3887 |