![GUANOSINE-5'-MONOPHOSPHATE-P-[4-(4-[3-[3-(2-AMINOETHYLAMINO)-PROPYLCARBAMOYL]-PROPIONYLAMINO]-BUTYLCARBAMOYL]-2-NITRO-BENZYLICESTER](/api/spectrum/Kre6YIOjNz7/structure.png?h=300&w=458 "GUANOSINE-5'-MONOPHOSPHATE-P-[4-(4-[3-[3-(2-AMINOETHYLAMINO)-PROPYLCARBAMOYL]-PROPIONYLAMINO]-BUTYLCARBAMOYL]-2-NITRO-BENZYLICESTER")
| SpectraBase Compound ID | ET98fREMJZY |
|---|---|
| InChI | InChI=1S/C31H46N11O13P/c32-8-13-34-9-3-12-36-23(44)7-6-22(43)35-10-1-2-11-37-28(47)18-4-5-19(20(14-18)42(49)50)15-53-56(51,52)54-16-21-25(45)26(46)30(55-21)41-17-38-24-27(41)39-31(33)40-29(24)48/h4-5,14,17,21,25-26,30,34,45-46H,1-3,6-13,15-16,32H2,(H,35,43)(H,36,44)(H,37,47)(H,51,52)(H3,33,39,40,48)/t21-,25-,26-,30-/m0/s1 |
| InChIKey | SQYRDDDVBGRLHK-KFWGRROVSA-N |
| Mol Weight | 811.7 g/mol |
| Molecular Formula | C31H46N11O13P |
| Exact Mass | 811.301418 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kre6YIOjNz7 |
|---|---|
| Name | GUANOSINE-5'-MONOPHOSPHATE-P-[4-(4-[3-[3-(2-AMINOETHYLAMINO)-PROPYLCARBAMOYL]-PROPIONYLAMINO]-BUTYLCARBAMOYL]-2-NITRO-BENZYLICESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H45N11O13P |
| InChI | InChI=1S/C31H46N11O13P/c32-8-13-34-9-3-12-36-23(44)7-6-22(43)35-10-1-2-11-37-28(47)18-4-5-19(20(14-18)42(49)50)15-53-56(51,52)54-16-21-25(45)26(46)30(55-21)41-17-38-24-27(41)39-31(33)40-29(24)48/h4-5,14,17,21,25-26,30,34,45-46H,1-3,6-13,15-16,32H2,(H,35,43)(H,36,44)(H,37,47)(H,51,52)(H3,33,39,40,48)/t21-,25-,26-,30-/m0/s1 |
| InChIKey | SQYRDDDVBGRLHK-KFWGRROVSA-N |
| Literature Reference Author | A.EISENFUEHR,P.S.ARORA,G.SENGLE,L.R.TAKAOKA,J.S.NOWICK,M.FAM ULOK |
| Literature Reference Citation | BIOORG.MED.CHEM.,11,235(2003) |
| Literature Reference DOI | 10.1016/S0968-0896(02)00311-5 |
| Solvent | CDCl3 |
| Source File Reference | UWLU38457 |