![3-(TRIPHENYLMETHYLTHIO)-N-[3-(3-(TRIPHENYLMETHYLTHIO)-PROPANOYLGLYCYLGLYCYLGLYCYLAMINO)-PROPYL]-PROPANAMIDE](/api/spectrum/9S0UqO4Df02/structure.png?h=300&w=458 "3-(TRIPHENYLMETHYLTHIO)-N-[3-(3-(TRIPHENYLMETHYLTHIO)-PROPANOYLGLYCYLGLYCYLGLYCYLAMINO)-PROPYL]-PROPANAMIDE")
| SpectraBase Compound ID | pvvgueQ1xy |
|---|---|
| InChI | InChI=1S/C53H55N5O5S2/c59-47(32-36-64-52(41-20-7-1-8-21-41,42-22-9-2-10-23-42)43-24-11-3-12-25-43)54-34-19-35-55-49(61)38-57-51(63)40-58-50(62)39-56-48(60)33-37-65-53(44-26-13-4-14-27-44,45-28-15-5-16-29-45)46-30-17-6-18-31-46/h1-18,20-31H,19,32-40H2,(H,54,59)(H,55,61)(H,56,60)(H,57,63)(H,58,62) |
| InChIKey | LTEIKWOVMCYYIR-UHFFFAOYSA-N |
| Mol Weight | 906.2 g/mol |
| Molecular Formula | C53H55N5O5S2 |
| Exact Mass | 905.364462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9S0UqO4Df02 |
|---|---|
| Name | 3-(TRIPHENYLMETHYLTHIO)-N-[3-(3-(TRIPHENYLMETHYLTHIO)-PROPANOYLGLYCYLGLYCYLGLYCYLAMINO)-PROPYL]-PROPANAMIDE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H55N5O5S2 |
| InChI | InChI=1S/C53H55N5O5S2/c59-47(32-36-64-52(41-20-7-1-8-21-41,42-22-9-2-10-23-42)43-24-11-3-12-25-43)54-34-19-35-55-49(61)38-57-51(63)40-58-50(62)39-56-48(60)33-37-65-53(44-26-13-4-14-27-44,45-28-15-5-16-29-45)46-30-17-6-18-31-46/h1-18,20-31H,19,32-40H2,(H,54,59)(H,55,61)(H,56,60)(H,57,63)(H,58,62) |
| InChIKey | LTEIKWOVMCYYIR-UHFFFAOYSA-N |
| Literature Reference Author | A.M.BRAY,D.P.KELLY,P.O.L.MACK,G.F.MARTIN,L.P.G.WAKELIN |
| Literature Reference Citation | AUSTR.J.CHEM.,43,629(1990) |
| Literature Reference DOI | 10.1071/ch9900629 |
| Molecular Weight | 906.170 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS11241 |