![L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLESTER](/api/spectrum/8DN20Qc1hyr/structure.png?h=300&w=458 "L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLESTER")
| SpectraBase Compound ID | L07ECUWa8EL |
|---|---|
| InChI | InChI=1S/C45H70N6O8S2/c1-30(2)26-37(49-40(52)27-48-41(53)35(46)22-24-60-8)43(55)51-23-13-20-39(51)42(54)50-38(45(57)58-7)29-61-25-21-32(4)16-11-14-31(3)15-12-17-33(5)28-59-44(56)34-18-9-10-19-36(34)47-6/h9-10,14,17-19,21,30,35,37-39,47H,11-13,15-16,20,22-29,46H2,1-8H3,(H,48,53)(H,49,52)(H,50,54)/b31-14+,32-21+,33-17+/t35-,37-,38+,39-/m0/s1 |
| InChIKey | UTNBKXXRDUZUKP-NWZCECJJSA-N |
| Mol Weight | 887.2 g/mol |
| Molecular Formula | C45H70N6O8S2 |
| Exact Mass | 886.469656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DN20Qc1hyr |
|---|---|
| Name | L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEINE-METHYLESTER |
| Compound Number | 22B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70N6O8S2 |
| InChI | InChI=1S/C45H70N6O8S2/c1-30(2)26-37(49-40(52)27-48-41(53)35(46)22-24-60-8)43(55)51-23-13-20-39(51)42(54)50-38(45(57)58-7)29-61-25-21-32(4)16-11-14-31(3)15-12-17-33(5)28-59-44(56)34-18-9-10-19-36(34)47-6/h9-10,14,17-19,21,30,35,37-39,47H,11-13,15-16,20,22-29,46H2,1-8H3,(H,48,53)(H,49,52)(H,50,54)/b31-14+,32-21+,33-17+/t35-,37-,38+,39-/m0/s1 |
| InChIKey | UTNBKXXRDUZUKP-NWZCECJJSA-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 | 887.206 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23424 |