![CYCLOPEPTIDE-CYCLO-[PRO-BMAB]2](/api/spectrum/KzJQegxpWtb/structure.png?h=300&w=458 "CYCLOPEPTIDE-CYCLO-[PRO-BMAB]2")
| SpectraBase Compound ID | B5kzfp4DmlJ |
|---|---|
| InChI | InChI=1S/C40H44B2N6O8/c1-45(23-25-9-3-5-11-33(25)41(53)54)31-19-27-17-29(21-31)43-37(49)35-13-8-16-48(35)40(52)28-18-30(44-38(50)36-14-7-15-47(36)39(27)51)22-32(20-28)46(2)24-26-10-4-6-12-34(26)42(55)56/h3-6,9-12,17-22,35-36,53-56H,7-8,13-16,23-24H2,1-2H3,(H,43,49)(H,44,50)/t35-,36-/m0/s1 |
| InChIKey | FXJPVYPDOCKPSU-ZPGRZCPFSA-N |
| Mol Weight | 758.4 g/mol |
| Molecular Formula | C40H44B2N6O8 |
| Exact Mass | 758.340673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzJQegxpWtb |
|---|---|
| Name | CYCLOPEPTIDE-CYCLO-[PRO-BMAB]2 |
| Compound Number | 1D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H44B2N6O8 |
| InChI | InChI=1S/C40H44B2N6O8/c1-45(23-25-9-3-5-11-33(25)41(53)54)31-19-27-17-29(21-31)43-37(49)35-13-8-16-48(35)40(52)28-18-30(44-38(50)36-14-7-15-47(36)39(27)51)22-32(20-28)46(2)24-26-10-4-6-12-34(26)42(55)56/h3-6,9-12,17-22,35-36,53-56H,7-8,13-16,23-24H2,1-2H3,(H,43,49)(H,44,50)/t35-,36-/m0/s1 |
| InChIKey | FXJPVYPDOCKPSU-ZPGRZCPFSA-N |
| Literature Reference Author | G.HEINRICHS,M.SCHELLENTRAGER,S.KUBIK |
| Literature Reference Citation | EUR.J.ORG.CHEM.,4177(2006) |
| Molecular Weight | 758.445 g/mol |
| Sample ID | 44661 |
| Solvent | DMSO-D6 |