| SpectraBase Compound ID | GnUH5nwI66V |
|---|---|
| InChI | InChI=1S/C52H73N5O8S2/c1-34(2)16-13-17-36(5)18-14-19-37(6)25-29-67-33-45(51(62)64-7)55-49(60)46-24-15-27-57(46)50(61)44(30-35(3)4)54-47(58)31-53-48(59)43(26-28-66-8)56-52(63)65-32-42-40-22-11-9-20-38(40)39-21-10-12-23-41(39)42/h9-12,16,18,20-23,25,35,42-46H,13-15,17,19,24,26-33H2,1-8H3,(H,53,59)(H,54,58)(H,55,60)(H,56,63)/b36-18+,37-25+/t43-,44+,45+,46+/m0/s1 |
| InChIKey | IMIQBWDHSHNGGU-HGVDRKIESA-N |
| Mol Weight | 960.3 g/mol |
| Molecular Formula | C52H73N5O8S2 |
| Exact Mass | 959.490057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EzAIaif0FTi |
|---|---|
| Name | N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-FARNESYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 21C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H73N5O8S2 |
| InChI | InChI=1S/C52H73N5O8S2/c1-34(2)16-13-17-36(5)18-14-19-37(6)25-29-67-33-45(51(62)64-7)55-49(60)46-24-15-27-57(46)50(61)44(30-35(3)4)54-47(58)31-53-48(59)43(26-28-66-8)56-52(63)65-32-42-40-22-11-9-20-38(40)39-21-10-12-23-41(39)42/h9-12,16,18,20-23,25,35,42-46H,13-15,17,19,24,26-33H2,1-8H3,(H,53,59)(H,54,58)(H,55,60)(H,56,63)/b36-18+,37-25+/t43-,44+,45+,46+/m0/s1 |
| InChIKey | IMIQBWDHSHNGGU-HGVDRKIESA-N |
| Literature Reference Author | K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,1023(2001) |
| Literature Reference DOI | 10.1021/ja002723o |
| Molecular Weight | 960.300 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23421 |