| SpectraBase Compound ID | Iy9orHBQwDM |
|---|---|
| InChI | InChI=1S/C47H74N6O9S2/c1-32(2)15-12-16-34(5)17-13-18-35(6)23-28-64-31-38(47(61)62-7)51-45(59)39-19-14-26-52(39)46(60)37(29-33(3)4)50-41(55)30-48-44(58)36(24-27-63-8)49-40(54)20-10-9-11-25-53-42(56)21-22-43(53)57/h15,17,21-23,33,36-39H,9-14,16,18-20,24-31H2,1-8H3,(H,48,58)(H,49,54)(H,50,55)(H,51,59)/b34-17+,35-23+/t36-,37+,38+,39+/m1/s1 |
| InChIKey | LAGFSXUYXWLAHE-OXOSUMMGSA-N |
| Mol Weight | 931.3 g/mol |
| Molecular Formula | C47H74N6O9S2 |
| Exact Mass | 930.49587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pa8gwe1ZJ9 |
|---|---|
| Name | N-(6-MALEIMIDOCAPROYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-FARNESYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 41C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74N6O9S2 |
| InChI | InChI=1S/C47H74N6O9S2/c1-32(2)15-12-16-34(5)17-13-18-35(6)23-28-64-31-38(47(61)62-7)51-45(59)39-19-14-26-52(39)46(60)37(29-33(3)4)50-41(55)30-48-44(58)36(24-27-63-8)49-40(54)20-10-9-11-25-53-42(56)21-22-43(53)57/h15,17,21-23,33,36-39H,9-14,16,18-20,24-31H2,1-8H3,(H,48,58)(H,49,54)(H,50,55)(H,51,59)/b34-17+,35-23+/t36-,37+,38+,39+/m1/s1 |
| InChIKey | LAGFSXUYXWLAHE-OXOSUMMGSA-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 | 931.259 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23425 |