![Cyclo(-phe-1-pro-2-thr-3-lys[Z]-4-trp-5-phe-6-)](/api/spectrum/AW5yudfgcU7/structure.png?h=300&w=458 "Cyclo(-phe-1-pro-2-thr-3-lys[Z]-4-trp-5-phe-6-)")
| SpectraBase Compound ID | 6vcVKKM0tPl |
|---|---|
| InChI | InChI=1S/C52H60N8O9/c1-33(61)45-50(66)55-40(24-13-14-26-53-52(68)69-32-36-20-9-4-10-21-36)46(62)57-42(30-37-31-54-39-23-12-11-22-38(37)39)48(64)56-41(28-34-16-5-2-6-17-34)47(63)58-43(29-35-18-7-3-8-19-35)51(67)60-27-15-25-44(60)49(65)59-45/h2-12,16-23,31,33,40-45,54,61H,13-15,24-30,32H2,1H3,(H,53,68)(H,55,66)(H,56,64)(H,57,62)(H,58,63)(H,59,65) |
| InChIKey | OTTOHZAKPOQLKN-UHFFFAOYSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C52H60N8O9 |
| Exact Mass | 940.448326 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AW5yudfgcU7 |
|---|---|
| Name | Cyclo(-phe-1-pro-2-thr-3-lys[Z]-4-trp-5-phe-6-) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C52H60N8O9 |
| InChI | InChI=1S/C52H60N8O9/c1-33(61)45-50(66)55-40(24-13-14-26-53-52(68)69-32-36-20-9-4-10-21-36)46(62)57-42(30-37-31-54-39-23-12-11-22-38(37)39)48(64)56-41(28-34-16-5-2-6-17-34)47(63)58-43(29-35-18-7-3-8-19-35)51(67)60-27-15-25-44(60)49(65)59-45/h2-12,16-23,31,33,40-45,54,61H,13-15,24-30,32H2,1H3,(H,53,68)(H,55,66)(H,56,64)(H,57,62)(H,58,63)(H,59,65) |
| InChIKey | OTTOHZAKPOQLKN-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-400 |
| Literature Reference | M. Hofmann, M. Gehrke, H. Kessler, Magn. Res. Chem. 27, 877 (1989). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |