| SpectraBase Compound ID | BeoGobElNnz |
|---|---|
| InChI | InChI=1S/C48H87N7O11S2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-68-33-38(52-41(58)31-50-47(64)66-48(4,5)6)43(60)53-35(25-28-67-8)42(59)49-30-40(57)51-36(29-34(2)3)45(62)55-26-23-24-39(55)44(61)54-37(32-56)46(63)65-7/h34-39,56H,9-33H2,1-8H3,(H,49,59)(H,50,64)(H,51,57)(H,52,58)(H,53,60)(H,54,61)/t35-,36+,37-,38-,39+/m1/s1 |
| InChIKey | UQDMIPXXCPGQNV-KYFHLAJPSA-N |
| Mol Weight | 1002.4 g/mol |
| Molecular Formula | C48H87N7O11S2 |
| Exact Mass | 1001.590499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21a7mN6CwQJ |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYLGLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-L-SERINE-METHYLESTER |
| Compound Number | 63 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H87N7O11S2 |
| InChI | InChI=1S/C48H87N7O11S2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-68-33-38(52-41(58)31-50-47(64)66-48(4,5)6)43(60)53-35(25-28-67-8)42(59)49-30-40(57)51-36(29-34(2)3)45(62)55-26-23-24-39(55)44(61)54-37(32-56)46(63)65-7/h34-39,56H,9-33H2,1-8H3,(H,49,59)(H,50,64)(H,51,57)(H,52,58)(H,53,60)(H,54,61)/t35-,36+,37-,38-,39+/m1/s1 |
| InChIKey | UQDMIPXXCPGQNV-KYFHLAJPSA-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 | 1002.379 g/mol |
| Solvent | CDCl3:CD3OD=3:1 |
| Source File Reference | UWSI23454 |