![L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLESTER](/api/spectrum/8LvFUd88Lq1/structure.png?h=300&w=458 "L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLESTER")
| SpectraBase Compound ID | 4TfAv3HPIqu |
|---|---|
| InChI | InChI=1S/C40H62N6O8S2/c1-26(2)22-32(44-35(47)23-43-36(48)30(41)18-20-55-7)38(50)46-19-11-16-34(46)37(49)45-33(40(52)53-6)25-56-21-17-27(3)12-10-13-28(4)24-54-39(51)29-14-8-9-15-31(29)42-5/h8-9,13-15,17,26,30,32-34,42H,10-12,16,18-25,41H2,1-7H3,(H,43,48)(H,44,47)(H,45,49)/b27-17+,28-13+/t30-,32-,33+,34-/m0/s1 |
| InChIKey | JSQMQHAJYXHQTJ-FQQUNEKGSA-N |
| Mol Weight | 819.1 g/mol |
| Molecular Formula | C40H62N6O8S2 |
| Exact Mass | 818.407055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LvFUd88Lq1 |
|---|---|
| Name | L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLESTER |
| Compound Number | 22A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62N6O8S2 |
| InChI | InChI=1S/C40H62N6O8S2/c1-26(2)22-32(44-35(47)23-43-36(48)30(41)18-20-55-7)38(50)46-19-11-16-34(46)37(49)45-33(40(52)53-6)25-56-21-17-27(3)12-10-13-28(4)24-54-39(51)29-14-8-9-15-31(29)42-5/h8-9,13-15,17,26,30,32-34,42H,10-12,16,18-25,41H2,1-7H3,(H,43,48)(H,44,47)(H,45,49)/b27-17+,28-13+/t30-,32-,33+,34-/m0/s1 |
| InChIKey | JSQMQHAJYXHQTJ-FQQUNEKGSA-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 | 819.088 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23409 |