![#41B;N-(6-MALEIMIDOCAPROYL)-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-METHYLE](/api/spectrum/9SuK5tRGfZ4/structure.png?h=300&w=458 "#41B;N-(6-MALEIMIDOCAPROYL)-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-METHYLE")
| SpectraBase Compound ID | AkfZ5H9HEp6 |
|---|---|
| InChI | InChI=1S/C55H81N7O11S2/c1-37(2)33-44(59-48(64)34-57-51(67)43(28-31-74-8)58-47(63)24-10-9-13-29-62-49(65)25-26-50(62)66)53(69)61-30-16-23-46(61)52(68)60-45(55(71)72-7)36-75-32-27-39(4)19-14-17-38(3)18-15-20-40(5)35-73-54(70)41-21-11-12-22-42(41)56-6/h11-12,17,20-22,25-27,37,43-46,56H,9-10,13-16,18-19,23-24,28-36H2,1-8H3,(H,57,67)(H,58,63)(H,59,64)(H,60,68)/b38-17+,39-27+,40-20+/t43-,44+,45-,46+/m1/s1 |
| InChIKey | AHSRDIVSVVSYCL-GHGIGXTPSA-N |
| Mol Weight | 1080.4 g/mol |
| Molecular Formula | C55H81N7O11S2 |
| Exact Mass | 1079.543549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SuK5tRGfZ4 |
|---|---|
| Name | #41B;N-(6-MALEIMIDOCAPROYL)-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-METHYLE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H81N7O11S2 |
| InChI | InChI=1S/C55H81N7O11S2/c1-37(2)33-44(59-48(64)34-57-51(67)43(28-31-74-8)58-47(63)24-10-9-13-29-62-49(65)25-26-50(62)66)53(69)61-30-16-23-46(61)52(68)60-45(55(71)72-7)36-75-32-27-39(4)19-14-17-38(3)18-15-20-40(5)35-73-54(70)41-21-11-12-22-42(41)56-6/h11-12,17,20-22,25-27,37,43-46,56H,9-10,13-16,18-19,23-24,28-36H2,1-8H3,(H,57,67)(H,58,63)(H,59,64)(H,60,68)/b38-17+,39-27+,40-20+/t43-,44+,45-,46+/m1/s1 |
| InChIKey | AHSRDIVSVVSYCL-GHGIGXTPSA-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 | 1080.408 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23426 |