| SpectraBase Compound ID | 1WjgDWzUBSE |
|---|---|
| InChI | InChI=1S/C52H95N7O10S4/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-71-35-41(49(66)68-10)58-47(64)42-27-26-29-59(42)48(65)39(32-37(2)3)55-43(60)33-53-45(62)38(28-31-70-11)57-46(63)40(36-72-73-52(7,8)9)56-44(61)34-54-50(67)69-51(4,5)6/h37-42H,12-36H2,1-11H3,(H,53,62)(H,54,67)(H,55,60)(H,56,61)(H,57,63)(H,58,64)/t38-,39+,40-,41+,42+/m1/s1 |
| InChIKey | NLTDRJWEUPVXNC-DFTQOSPBSA-N |
| Mol Weight | 1106.6 g/mol |
| Molecular Formula | C52H95N7O10S4 |
| Exact Mass | 1105.602327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2R82v5FKaHs |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYLGLYCYL-S-TERT.-BUTYLTHIO-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-HEXADECYL-L-CYSTEINE-METHYLESTER |
| Compound Number | 57 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H95N7O10S4 |
| InChI | InChI=1S/C52H95N7O10S4/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30-71-35-41(49(66)68-10)58-47(64)42-27-26-29-59(42)48(65)39(32-37(2)3)55-43(60)33-53-45(62)38(28-31-70-11)57-46(63)40(36-72-73-52(7,8)9)56-44(61)34-54-50(67)69-51(4,5)6/h37-42H,12-36H2,1-11H3,(H,53,62)(H,54,67)(H,55,60)(H,56,61)(H,57,63)(H,58,64)/t38-,39+,40-,41+,42+/m1/s1 |
| InChIKey | NLTDRJWEUPVXNC-DFTQOSPBSA-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 | 1106.607 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWSI23446 |