| SpectraBase Compound ID | 7qeS7VtMUhv |
|---|---|
| InChI | InChI=1S/C53H88N8O13S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-25-48(68)76-36-41(57-44(64)33-54-43(63)24-19-18-21-29-61-46(66)26-27-47(61)67)50(70)58-38(28-31-75-5)49(69)55-34-45(65)56-39(32-37(2)3)52(72)60-30-22-23-42(60)51(71)59-40(35-62)53(73)74-4/h26-27,37-42,62H,6-25,28-36H2,1-5H3,(H,54,63)(H,55,69)(H,56,65)(H,57,64)(H,58,70)(H,59,71)/t38-,39+,40-,41-,42+/m1/s1 |
| InChIKey | ZAXYUAQLGFUQHC-FIBZEHAKSA-N |
| Mol Weight | 1109.4 g/mol |
| Molecular Formula | C53H88N8O13S2 |
| Exact Mass | 1108.591227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JLkEivctYi |
|---|---|
| Name | N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-PALMITOYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-L-SERINE-METHYLESTER |
| Compound Number | 62 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H88N8O13S2 |
| InChI | InChI=1S/C53H88N8O13S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-25-48(68)76-36-41(57-44(64)33-54-43(63)24-19-18-21-29-61-46(66)26-27-47(61)67)50(70)58-38(28-31-75-5)49(69)55-34-45(65)56-39(32-37(2)3)52(72)60-30-22-23-42(60)51(71)59-40(35-62)53(73)74-4/h26-27,37-42,62H,6-25,28-36H2,1-5H3,(H,54,63)(H,55,69)(H,56,65)(H,57,64)(H,58,70)(H,59,71)/t38-,39+,40-,41-,42+/m1/s1 |
| InChIKey | ZAXYUAQLGFUQHC-FIBZEHAKSA-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 | 1109.448 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23453 |