| SpectraBase Compound ID | 6hB6QpILm8Z |
|---|---|
| InChI | InChI=1S/C28H48N10O8S2/c1-11(2)19-27(45)31-7-15(29)23(41)33-14(6)22(40)36-18-10-48-47-9-17(25(43)37-19)35-21(39)13(5)34-24(42)16(30)8-32-28(46)20(12(3)4)38-26(18)44/h11-20H,7-10,29-30H2,1-6H3,(H,31,45)(H,32,46)(H,33,41)(H,34,42)(H,35,39)(H,36,40)(H,37,43)(H,38,44)/t13-,14-,15-,16+,17-,18-,19-,20-/m0/s1 |
| InChIKey | UCQHZQRSHLLZOL-UXXFXACISA-N |
| Mol Weight | 716.9 g/mol |
| Molecular Formula | C28H48N10O8S2 |
| Exact Mass | 716.309801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vqqYSkaTvf |
|---|---|
| Name | CYCLO-(BETA-D-DAP-L-ALA-L-CYS-L-VAL-BETA-D-DAP-L-ALA-L-CYS-L-VAL)-DISULFIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48N10O8S2 |
| InChI | InChI=1S/C28H48N10O8S2/c1-11(2)19-27(45)31-7-15(29)23(41)33-14(6)22(40)36-18-10-48-47-9-17(25(43)37-19)35-21(39)13(5)34-24(42)16(30)8-32-28(46)20(12(3)4)38-26(18)44/h11-20H,7-10,29-30H2,1-6H3,(H,31,45)(H,32,46)(H,33,41)(H,34,42)(H,35,39)(H,36,40)(H,37,43)(H,38,44)/t13-,14-,15-,16+,17-,18-,19-,20-/m0/s1 |
| InChIKey | UCQHZQRSHLLZOL-UXXFXACISA-N |
| Literature Reference Author | B.DIETRICH,U.DIEDERICHSEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,147(2005) |
| Literature Reference DOI | 10.1002/ejoc.200400548 |
| Molecular Weight | 716.871 g/mol |
| Sample ID | 42252 |
| Solvent | DMSO-D6 |