![CYCLO-[BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL]-DISULFIDE](/api/spectrum/L0NPeK1T2V0/structure.png?h=300&w=458 "CYCLO-[BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL]-DISULFIDE")
| SpectraBase Compound ID | 3bXXGtf4gb8 |
|---|---|
| InChI | InChI=1S/C40H58N16O12S2/c1-17(2)29-37(65)43-11-21(47-27(57)13-55-9-7-25(41)51-39(55)67)33(61)45-20(6)32(60)50-24-16-70-69-15-23(35(63)53-29)49-31(59)19(5)46-34(62)22(12-44-38(66)30(18(3)4)54-36(24)64)48-28(58)14-56-10-8-26(42)52-40(56)68/h7-10,17-24,29-30H,11-16H2,1-6H3,(H,43,65)(H,44,66)(H,45,61)(H,46,62)(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,53,63)(H,54,64)(H2,41,51,67)(H2,42,52,68)/t19-,20-,21+,22+,23-,24-,29-,30-/m0/s1 |
| InChIKey | ZBZZVGGNQHLUHM-QTVMHHQWSA-N |
| Mol Weight | 1019.1 g/mol |
| Molecular Formula | C40H58N16O12S2 |
| Exact Mass | 1018.386154 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 | L0NPeK1T2V0 |
|---|---|
| Name | CYCLO-[BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(CYTOSIN-1-YLACETYL)-L-ALA-L-CYS-L-VAL]-DISULFIDE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H58N16O12S2 |
| InChI | InChI=1S/C40H58N16O12S2/c1-17(2)29-37(65)43-11-21(47-27(57)13-55-9-7-25(41)51-39(55)67)33(61)45-20(6)32(60)50-24-16-70-69-15-23(35(63)53-29)49-31(59)19(5)46-34(62)22(12-44-38(66)30(18(3)4)54-36(24)64)48-28(58)14-56-10-8-26(42)52-40(56)68/h7-10,17-24,29-30H,11-16H2,1-6H3,(H,43,65)(H,44,66)(H,45,61)(H,46,62)(H,47,57)(H,48,58)(H,49,59)(H,50,60)(H,53,63)(H,54,64)(H2,41,51,67)(H2,42,52,68)/t19-,20-,21+,22+,23-,24-,29-,30-/m0/s1 |
| InChIKey | ZBZZVGGNQHLUHM-QTVMHHQWSA-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 | 1019.121 g/mol |
| Sample ID | 42254 |
| Solvent | DMSO-D6 |