| SpectraBase Compound ID | 4JhvZnCoUQY |
|---|---|
| InChI | InChI=1S/C57H98N8O11S4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-78-39-45(56(75)76-7)63-54(73)46-27-26-33-64(46)55(74)43(36-41(2)3)60-49(68)38-59-52(71)42(31-35-77-8)62-53(72)44(40-79-80-57(4,5)6)61-48(67)37-58-47(66)28-23-22-24-32-65-50(69)29-30-51(65)70/h29-30,41-46H,9-28,31-40H2,1-8H3,(H,58,66)(H,59,71)(H,60,68)(H,61,67)(H,62,72)(H,63,73)/t42-,43+,44-,45+,46+/m1/s1 |
| InChIKey | JLLKHZXGAARLPU-GYNXGUMWSA-N |
| Mol Weight | 1199.7 g/mol |
| Molecular Formula | C57H98N8O11S4 |
| Exact Mass | 1198.623791 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjY004pE6D0 |
|---|---|
| Name | N-(6-MALEIMIDOCAPROYL)-GLYCYL-S-TERT.-BUTYLTHIO-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 59 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H98N8O11S4 |
| InChI | InChI=1S/C57H98N8O11S4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-25-34-78-39-45(56(75)76-7)63-54(73)46-27-26-33-64(46)55(74)43(36-41(2)3)60-49(68)38-59-52(71)42(31-35-77-8)62-53(72)44(40-79-80-57(4,5)6)61-48(67)37-58-47(66)28-23-22-24-32-65-50(69)29-30-51(65)70/h29-30,41-46H,9-28,31-40H2,1-8H3,(H,58,66)(H,59,71)(H,60,68)(H,61,67)(H,62,72)(H,63,73)/t42-,43+,44-,45+,46+/m1/s1 |
| InChIKey | JLLKHZXGAARLPU-GYNXGUMWSA-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 | 1199.692 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23448 |