![CYCLOPEPTIDE-CYCLO-[PRO-BMAB(PIN)]2](/api/spectrum/D3Ic4MTElT9/structure.png?h=300&w=458 "CYCLOPEPTIDE-CYCLO-[PRO-BMAB(PIN)]2")
| SpectraBase Compound ID | JoQQF67yBmR |
|---|---|
| InChI | InChI=1S/C52H64B2N6O8/c1-49(2)50(3,4)66-53(65-49)41-19-13-11-17-33(41)31-57(9)39-27-35-25-37(29-39)55-45(61)43-21-16-24-60(43)48(64)36-26-38(56-46(62)44-22-15-23-59(44)47(35)63)30-40(28-36)58(10)32-34-18-12-14-20-42(34)54-67-51(5,6)52(7,8)68-54/h11-14,17-20,25-30,43-44H,15-16,21-24,31-32H2,1-10H3,(H,55,61)(H,56,62)/t43-,44-/m0/s1 |
| InChIKey | ZXDOBFGYWMVOJM-CXNSMIOJSA-N |
| Mol Weight | 922.7 g/mol |
| Molecular Formula | C52H64B2N6O8 |
| Exact Mass | 922.497173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3Ic4MTElT9 |
|---|---|
| Name | CYCLOPEPTIDE-CYCLO-[PRO-BMAB(PIN)]2 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H64B2N6O8 |
| InChI | InChI=1S/C52H64B2N6O8/c1-49(2)50(3,4)66-53(65-49)41-19-13-11-17-33(41)31-57(9)39-27-35-25-37(29-39)55-45(61)43-21-16-24-60(43)48(64)36-26-38(56-46(62)44-22-15-23-59(44)47(35)63)30-40(28-36)58(10)32-34-18-12-14-20-42(34)54-67-51(5,6)52(7,8)68-54/h11-14,17-20,25-30,43-44H,15-16,21-24,31-32H2,1-10H3,(H,55,61)(H,56,62)/t43-,44-/m0/s1 |
| InChIKey | ZXDOBFGYWMVOJM-CXNSMIOJSA-N |
| Literature Reference Author | G.HEINRICHS,M.SCHELLENTRAGER,S.KUBIK |
| Literature Reference Citation | EUR.J.ORG.CHEM.,4177(2006) |
| Molecular Weight | 922.736 g/mol |
| Sample ID | 44660 |
| Solvent | DMSO-D6 |