![D-PHE-CYCLO-[CYS-TYR-D-TRP-D-TRP-ARG-THR-PEN]-THR-NH2](/api/spectrum/AMKMwhmeB61/structure.png?h=300&w=458 "D-PHE-CYCLO-[CYS-TYR-D-TRP-D-TRP-ARG-THR-PEN]-THR-NH2")
| SpectraBase Compound ID | 6eBxgaWZIOW |
|---|---|
| InChI | InChI=1S/C51H69N13O11S2/c1-26(65)39(42(53)68)62-49(75)41-51(3,4)77-76-25-38(61-43(69)33(52)21-28-11-6-5-7-12-28)47(73)59-36(22-29-16-18-31(67)19-17-29)45(71)60-37(23-30-24-57-34-14-9-8-13-32(30)34)46(72)58-35(15-10-20-56-50(54)55)44(70)63-40(27(2)66)48(74)64-41/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26?,27?,33-,35+,36+,37-,38+,39-,40+,41-/m1/s1 |
| InChIKey | OFMQLVRLOGHAJI-UOJCHDOTSA-N |
| Mol Weight | 1104.3 g/mol |
| Molecular Formula | C51H69N13O11S2 |
| Exact Mass | 1103.468092 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMKMwhmeB61 |
|---|---|
| Name | D-PHE-CYCLO-[CYS-TYR-D-TRP-D-TRP-ARG-THR-PEN]-THR-NH2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H69N13O11S2 |
| InChI | InChI=1S/C51H69N13O11S2/c1-26(65)39(42(53)68)62-49(75)41-51(3,4)77-76-25-38(61-43(69)33(52)21-28-11-6-5-7-12-28)47(73)59-36(22-29-16-18-31(67)19-17-29)45(71)60-37(23-30-24-57-34-14-9-8-13-32(30)34)46(72)58-35(15-10-20-56-50(54)55)44(70)63-40(27(2)66)48(74)64-41/h5-9,11-14,16-19,24,26-27,33,35-41,57,65-67H,10,15,20-23,25,52H2,1-4H3,(H2,53,68)(H,58,72)(H,59,73)(H,60,71)(H,61,69)(H,62,75)(H,63,70)(H,64,74)(H4,54,55,56)/t26?,27?,33-,35+,36+,37-,38+,39-,40+,41-/m1/s1 |
| InChIKey | OFMQLVRLOGHAJI-UOJCHDOTSA-N |
| Literature Reference Author | Y.GAO,Y.HUO,Z.WANG,Y.LIU,H.ZHANG |
| Literature Reference Citation | MAGN.RES.CHEM.,52,467(2014) |
| Literature Reference DOI | 10.1002/mrc.4090 |
| Molecular Weight | 1104.309 g/mol |
| Solvent | D2O |
| Source File Reference | UWBT15648 |