![H-GLU-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL](/api/spectrum/8hDOOJx6X8U/structure.png?h=300&w=458 "H-GLU-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL")
| SpectraBase Compound ID | KRXjj51176b |
|---|---|
| InChI | InChI=1S/C34H39N3O12S/c1-20(2)16-28(34(45)48-19-22-6-4-3-5-7-22)37-32(42)27(36-31(41)26(35)14-15-30(39)40)17-21-8-10-23(11-9-21)49-50(46,47)24-12-13-25(33(43)44)29(38)18-24/h3-13,18,20,26-28,38H,14-17,19,35H2,1-2H3,(H,36,41)(H,37,42)(H,39,40)(H,43,44)/t26-,27-,28+/m0/s1 |
| InChIKey | JTTXMGMDQHLXPX-HZFUHODCSA-N |
| Mol Weight | 713.8 g/mol |
| Molecular Formula | C34H39N3O12S |
| Exact Mass | 713.225445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hDOOJx6X8U |
|---|---|
| Name | H-GLU-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-OBZL |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H39N3O12S |
| InChI | InChI=1S/C34H39N3O12S/c1-20(2)16-28(34(45)48-19-22-6-4-3-5-7-22)37-32(42)27(36-31(41)26(35)14-15-30(39)40)17-21-8-10-23(11-9-21)49-50(46,47)24-12-13-25(33(43)44)29(38)18-24/h3-13,18,20,26-28,38H,14-17,19,35H2,1-2H3,(H,36,41)(H,37,42)(H,39,40)(H,43,44)/t26-,27-,28+/m0/s1 |
| InChIKey | JTTXMGMDQHLXPX-HZFUHODCSA-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 | 713.757 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP3884 |