| SpectraBase Compound ID | RDT7HtpbRs |
|---|---|
| InChI | InChI=1S/C48H85N7O12S2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-41(59)69-32-37(52-40(58)30-50-47(65)67-48(4,5)6)43(61)53-34(25-27-68-8)42(60)49-29-39(57)51-35(28-33(2)3)45(63)55-26-22-23-38(55)44(62)54-36(31-56)46(64)66-7/h33-38,56H,9-32H2,1-8H3,(H,49,60)(H,50,65)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t34-,35+,36-,37-,38+/m1/s1 |
| InChIKey | ILTTWYVCENBDAD-GSPXPSQGSA-N |
| Mol Weight | 1016.4 g/mol |
| Molecular Formula | C48H85N7O12S2 |
| Exact Mass | 1015.569764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Yy62rdTR0J |
|---|---|
| Name | N-TERT.-BUTYLOXYCARBONYLGLYCYL-S-PALMITOYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-L-SERINE-METHYLESTER |
| Compound Number | 60 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H85N7O12S2 |
| InChI | InChI=1S/C48H85N7O12S2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-24-41(59)69-32-37(52-40(58)30-50-47(65)67-48(4,5)6)43(61)53-34(25-27-68-8)42(60)49-29-39(57)51-35(28-33(2)3)45(63)55-26-22-23-38(55)44(62)54-36(31-56)46(64)66-7/h33-38,56H,9-32H2,1-8H3,(H,49,60)(H,50,65)(H,51,57)(H,52,58)(H,53,61)(H,54,62)/t34-,35+,36-,37-,38+/m1/s1 |
| InChIKey | ILTTWYVCENBDAD-GSPXPSQGSA-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 | 1016.363 g/mol |
| Solvent | CDCl3:CD3OD=4:1 |
| Source File Reference | UWSI23451 |