![#21B;N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEI](/api/spectrum/DPzVUptvZUr/structure.png?h=300&w=458 "#21B;N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEI")
| SpectraBase Compound ID | 6YdjaIiJRwj |
|---|---|
| InChI | InChI=1S/C60H80N6O10S2/c1-39(2)34-51(63-54(67)35-62-55(68)50(30-32-77-8)65-60(73)76-37-48-45-24-11-9-22-43(45)44-23-10-12-25-46(44)48)57(70)66-31-17-28-53(66)56(69)64-52(59(72)74-7)38-78-33-29-41(4)20-15-18-40(3)19-16-21-42(5)36-75-58(71)47-26-13-14-27-49(47)61-6/h9-14,18,21-27,29,39,48,50-53,61H,15-17,19-20,28,30-38H2,1-8H3,(H,62,68)(H,63,67)(H,64,69)(H,65,73)/b40-18+,41-29+,42-21+/t50-,51+,52+,53+/m0/s1 |
| InChIKey | FIOUMWXXKPISJK-OGSXNIIUSA-N |
| Mol Weight | 1109.5 g/mol |
| Molecular Formula | C60H80N6O10S2 |
| Exact Mass | 1108.537735 g/mol |
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| SpectraBase Spectrum ID | DPzVUptvZUr |
|---|---|
| Name | #21B;N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[(E,E)-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE]-L-CYSTEI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H80N6O10S2 |
| InChI | InChI=1S/C60H80N6O10S2/c1-39(2)34-51(63-54(67)35-62-55(68)50(30-32-77-8)65-60(73)76-37-48-45-24-11-9-22-43(45)44-23-10-12-25-46(44)48)57(70)66-31-17-28-53(66)56(69)64-52(59(72)74-7)38-78-33-29-41(4)20-15-18-40(3)19-16-21-42(5)36-75-58(71)47-26-13-14-27-49(47)61-6/h9-14,18,21-27,29,39,48,50-53,61H,15-17,19-20,28,30-38H2,1-8H3,(H,62,68)(H,63,67)(H,64,69)(H,65,73)/b40-18+,41-29+,42-21+/t50-,51+,52+,53+/m0/s1 |
| InChIKey | FIOUMWXXKPISJK-OGSXNIIUSA-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 | 1109.449 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23422 |