| SpectraBase Compound ID | 1BwXjJQGnOE |
|---|---|
| InChI | InChI=1S/C43H79N7O9S2.C2HF3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-61-30-35(47-37(52)27-44)40(55)48-32(22-25-60-5)39(54)45-28-38(53)46-33(26-31(2)3)42(57)50-23-20-21-36(50)41(56)49-34(29-51)43(58)59-4;3-2(4,5)1(6)7/h31-36,51H,6-30,44H2,1-5H3,(H,45,54)(H,46,53)(H,47,52)(H,48,55)(H,49,56);(H,6,7)/t32-,33+,34-,35-,36+;/m1./s1 |
| InChIKey | FEETWFWWCQAQAX-RTGSZMSXSA-N |
| Mol Weight | 1016.3 g/mol |
| Molecular Formula | C45H80F3N7O11S2 |
| Exact Mass | 1015.530933 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yFg5X1notb |
|---|---|
| Name | GLYCYL-S-HEXADECYL-L-CYSTEYL-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-L-SERINE-METHYLESTER-HYDROTRIFLUOROACETATE |
| Compound Number | 64 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H80F3N7O11S2 |
| InChI | InChI=1S/C43H79N7O9S2.C2HF3O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-61-30-35(47-37(52)27-44)40(55)48-32(22-25-60-5)39(54)45-28-38(53)46-33(26-31(2)3)42(57)50-23-20-21-36(50)41(56)49-34(29-51)43(58)59-4;3-2(4,5)1(6)7/h31-36,51H,6-30,44H2,1-5H3,(H,45,54)(H,46,53)(H,47,52)(H,48,55)(H,49,56);(H,6,7)/t32-,33+,34-,35-,36+;/m1./s1 |
| InChIKey | FEETWFWWCQAQAX-RTGSZMSXSA-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 | 1016.286 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI23455 |