![AC-GLU-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-ARG-NH2](/api/spectrum/LxSiB0yucJv/structure.png?h=300&w=458 "AC-GLU-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-ARG-NH2")
| SpectraBase Compound ID | 9Kbzli1Xulc |
|---|---|
| InChI | InChI=1S/C35H48N8O13S/c1-18(2)15-26(32(50)41-24(30(36)48)5-4-14-39-35(37)38)42-33(51)27(43-31(49)25(40-19(3)44)12-13-29(46)47)16-20-6-8-21(9-7-20)56-57(54,55)22-10-11-23(34(52)53)28(45)17-22/h6-11,17-18,24-27,45H,4-5,12-16H2,1-3H3,(H2,36,48)(H,40,44)(H,41,50)(H,42,51)(H,43,49)(H,46,47)(H,52,53)(H4,37,38,39)/t24-,25-,26-,27+/m1/s1 |
| InChIKey | QGEGCODSVYFMSP-CWTOASCOSA-N |
| Mol Weight | 820.9 g/mol |
| Molecular Formula | C35H48N8O13S |
| Exact Mass | 820.306155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LxSiB0yucJv |
|---|---|
| Name | AC-GLU-TYR-[SO2C6H3(3-OH)(4-COOH)]-LEU-ARG-NH2 |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H48N8O13S |
| InChI | InChI=1S/C35H48N8O13S/c1-18(2)15-26(32(50)41-24(30(36)48)5-4-14-39-35(37)38)42-33(51)27(43-31(49)25(40-19(3)44)12-13-29(46)47)16-20-6-8-21(9-7-20)56-57(54,55)22-10-11-23(34(52)53)28(45)17-22/h6-11,17-18,24-27,45H,4-5,12-16H2,1-3H3,(H2,36,48)(H,40,44)(H,41,50)(H,42,51)(H,43,49)(H,46,47)(H,52,53)(H4,37,38,39)/t24-,25-,26-,27+/m1/s1 |
| InChIKey | QGEGCODSVYFMSP-CWTOASCOSA-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 | 820.872 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWCP3885 |