| SpectraBase Compound ID | 6bGiSGuuYK5 |
|---|---|
| InChI | InChI=1S/C56H90N8O11S4/c1-37(2)18-15-19-39(5)20-16-21-40(6)26-31-77-35-44(55(74)75-10)62-53(72)45-22-17-29-63(45)54(73)42(32-38(3)4)59-48(67)34-58-51(70)41(27-30-76-11)61-52(71)43(36-78-79-56(7,8)9)60-47(66)33-57-46(65)23-13-12-14-28-64-49(68)24-25-50(64)69/h18,20,24-26,38,41-45H,12-17,19,21-23,27-36H2,1-11H3,(H,57,65)(H,58,70)(H,59,67)(H,60,66)(H,61,71)(H,62,72)/b39-20+,40-26+/t41-,42+,43+,44+,45+/m1/s1 |
| InChIKey | WUVKLUWTKAYJOS-JQHQHMHSSA-N |
| Mol Weight | 1179.6 g/mol |
| Molecular Formula | C56H90N8O11S4 |
| Exact Mass | 1178.56119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GkT7xz73SIQ |
|---|---|
| Name | N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-TERT.-BUTYLTHIO-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-FARNESYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 42C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90N8O11S4 |
| InChI | InChI=1S/C56H90N8O11S4/c1-37(2)18-15-19-39(5)20-16-21-40(6)26-31-77-35-44(55(74)75-10)62-53(72)45-22-17-29-63(45)54(73)42(32-38(3)4)59-48(67)34-58-51(70)41(27-30-76-11)61-52(71)43(36-78-79-56(7,8)9)60-47(66)33-57-46(65)23-13-12-14-28-64-49(68)24-25-50(64)69/h18,20,24-26,38,41-45H,12-17,19,21-23,27-36H2,1-11H3,(H,57,65)(H,58,70)(H,59,67)(H,60,66)(H,61,71)(H,62,72)/b39-20+,40-26+/t41-,42+,43+,44+,45+/m1/s1 |
| InChIKey | WUVKLUWTKAYJOS-JQHQHMHSSA-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 | 1179.618 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23438 |