| SpectraBase Compound ID | 1lk9o2FfjoV |
|---|---|
| InChI | InChI=1S/C22H39N5O7S.C2HF3O2/c1-13(2)10-15(25-18(29)11-24-19(30)14(23)7-9-35-4)21(32)27-8-5-6-17(27)20(31)26-16(12-28)22(33)34-3;3-2(4,5)1(6)7/h13-17,28H,5-12,23H2,1-4H3,(H,24,30)(H,25,29)(H,26,31);(H,6,7)/t14-,15-,16+,17-;/m0./s1 |
| InChIKey | QLDGJCGONCKNGR-CIAYFLBZSA-N |
| Mol Weight | 631.7 g/mol |
| Molecular Formula | C24H40F3N5O9S |
| Exact Mass | 631.249884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mlTvOhtLBU |
|---|---|
| Name | L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-L-SERINE-METHYLESTER-HYDROTRIFLUOROACETATE |
| Compound Number | 53 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H40F3N5O9S |
| InChI | InChI=1S/C22H39N5O7S.C2HF3O2/c1-13(2)10-15(25-18(29)11-24-19(30)14(23)7-9-35-4)21(32)27-8-5-6-17(27)20(31)26-16(12-28)22(33)34-3;3-2(4,5)1(6)7/h13-17,28H,5-12,23H2,1-4H3,(H,24,30)(H,25,29)(H,26,31);(H,6,7)/t14-,15-,16+,17-;/m0./s1 |
| InChIKey | QLDGJCGONCKNGR-CIAYFLBZSA-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 | 631.665 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI23450 |