![Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-glycyl-prolyl)](/api/spectrum/8NNvYOizPtt/structure.png?h=300&w=458 "Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-glycyl-prolyl)")
| SpectraBase Compound ID | 57vLiRL9RJN |
|---|---|
| InChI | InChI=1S/C45H54N8O9/c1-28(54)39-44(60)48-26-38(55)53-22-12-20-37(53)43(59)51-35(23-29-13-4-2-5-14-29)41(57)50-36(24-31-25-47-33-18-9-8-17-32(31)33)42(58)49-34(40(56)52-39)19-10-11-21-46-45(61)62-27-30-15-6-3-7-16-30/h2-9,13-18,25,28,34-37,39,47,54H,10-12,19-24,26-27H2,1H3,(H,46,61)(H,48,60)(H,49,58)(H,50,57)(H,51,59)(H,52,56) |
| InChIKey | MIJQQSZMXIZZAX-UHFFFAOYSA-N |
| Mol Weight | 851.0 g/mol |
| Molecular Formula | C45H54N8O9 |
| Exact Mass | 850.401375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NNvYOizPtt |
|---|---|
| Name | Cyclo(phenylalanyl-D-tryptophyl-[E-benzyloxycarbonyl-lysyl]-threonyl-glycyl-prolyl) |
| CAS Registry Number | 87308-19-8 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C45H54N8O9 |
| InChI | InChI=1S/C45H54N8O9/c1-28(54)39-44(60)48-26-38(55)53-22-12-20-37(53)43(59)51-35(23-29-13-4-2-5-14-29)41(57)50-36(24-31-25-47-33-18-9-8-17-32(31)33)42(58)49-34(40(56)52-39)19-10-11-21-46-45(61)62-27-30-15-6-3-7-16-30/h2-9,13-18,25,28,34-37,39,47,54H,10-12,19-24,26-27H2,1H3,(H,46,61)(H,48,60)(H,49,58)(H,50,57)(H,51,59)(H,52,56) |
| InChIKey | MIJQQSZMXIZZAX-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 |