| SpectraBase Compound ID | 2qAXlMEof7S |
|---|---|
| InChI | InChI=1S/C45H55N7O12/c1-25(53)35-42(59)48-23-34-36(54)37(55)38(56)39(64-34)43(60)49-31(20-26-12-4-2-5-13-26)40(57)50-32(21-28-22-47-30-17-9-8-16-29(28)30)44(61)52(33(41(58)51-35)18-10-11-19-46)45(62)63-24-27-14-6-3-7-15-27/h2-9,12-17,22,25,31-39,47,53-56H,10-11,18-21,23-24,46H2,1H3,(H,48,59)(H,49,60)(H,50,57)(H,51,58)/t25?,31?,32?,33?,34-,35?,36-,37+,38-,39-/m0/s1 |
| InChIKey | FNYZXRHPKBJKJE-TUYXNCTBSA-N |
| Mol Weight | 886.0 g/mol |
| Molecular Formula | C45H55N7O12 |
| Exact Mass | 885.39087 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 | JPWczMhPZYT |
|---|---|
| Name | CYCLO-(-SAA2-PHE-D-TRP-LYS(CBZ)-THR-) |
| Compound Number | 26 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H55N7O12 |
| InChI | InChI=1S/C45H55N7O12/c1-25(53)35-42(59)48-23-34-36(54)37(55)38(56)39(64-34)43(60)49-31(20-26-12-4-2-5-13-26)40(57)50-32(21-28-22-47-30-17-9-8-16-29(28)30)44(61)52(33(41(58)51-35)18-10-11-19-46)45(62)63-24-27-14-6-3-7-15-27/h2-9,12-17,22,25,31-39,47,53-56H,10-11,18-21,23-24,46H2,1H3,(H,48,59)(H,49,60)(H,50,57)(H,51,58)/t25?,31?,32?,33?,34-,35?,36-,37+,38-,39-/m0/s1 |
| InChIKey | FNYZXRHPKBJKJE-TUYXNCTBSA-N |
| Literature Reference Author | E.G.V.ROEDERN,E.LOHOF,G.HESSLER,M.HOFFMANN,H.KESSLER |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,10156(1996) |
| Literature Reference DOI | 10.1021/ja961068a |
| Molecular Weight | 885.971 g/mol |
| Sample ID | 53605 |
| Solvent | DMSO-D6 |