![Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-phenylalanyl-prolyl)](/api/spectrum/8CoPrwN0J1P/structure.png?h=300&w=458 "Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-phenylalanyl-prolyl)")
| SpectraBase Compound ID | DDnvJpP76uY |
|---|---|
| InChI | InChI=1S/C52H60N8O9/c1-33(61)45-50(66)58-43(29-35-18-7-3-8-19-35)51(67)60-27-15-25-44(60)49(65)57-41(28-34-16-5-2-6-17-34)47(63)56-42(30-37-31-54-39-23-12-11-22-38(37)39)48(64)55-40(46(62)59-45)24-13-14-26-53-52(68)69-32-36-20-9-4-10-21-36/h2-12,16-23,31,33,40-45,54,61H,13-15,24-30,32H2,1H3,(H,53,68)(H,55,64)(H,56,63)(H,57,65)(H,58,66)(H,59,62) |
| InChIKey | BTMVOENACQUEOL-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 | 8CoPrwN0J1P |
|---|---|
| Name | Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-phenylalanyl-prolyl) |
| CAS Registry Number | 87282-39-1 |
| 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)58-43(29-35-18-7-3-8-19-35)51(67)60-27-15-25-44(60)49(65)57-41(28-34-16-5-2-6-17-34)47(63)56-42(30-37-31-54-39-23-12-11-22-38(37)39)48(64)55-40(46(62)59-45)24-13-14-26-53-52(68)69-32-36-20-9-4-10-21-36/h2-12,16-23,31,33,40-45,54,61H,13-15,24-30,32H2,1H3,(H,53,68)(H,55,64)(H,56,63)(H,57,65)(H,58,66)(H,59,62) |
| InChIKey | BTMVOENACQUEOL-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-270 |
| Literature Reference | H. Kessler, M. Bernd, H. Kogler, J. Am. Chem. Soc. 105, 6944 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |