![#21A;N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[E,E-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLES](/api/spectrum/ExrpvDrlbf7/structure.png?h=300&w=458 "#21A;N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[E,E-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLES")
| SpectraBase Compound ID | DAfq3blqxAR |
|---|---|
| InChI | InChI=1S/C55H72N6O10S2/c1-35(2)30-46(58-49(62)31-57-50(63)45(26-28-72-7)60-55(68)71-33-43-40-20-10-8-18-38(40)39-19-9-11-21-41(39)43)52(65)61-27-15-24-48(61)51(64)59-47(54(67)69-6)34-73-29-25-36(3)16-14-17-37(4)32-70-53(66)42-22-12-13-23-44(42)56-5/h8-13,17-23,25,35,43,45-48,56H,14-16,24,26-34H2,1-7H3,(H,57,63)(H,58,62)(H,59,64)(H,60,68)/b36-25+,37-17+/t45-,46+,47+,48+/m0/s1 |
| InChIKey | JDFZDIAGQABDDE-NFUZMAPOSA-N |
| Mol Weight | 1041.3 g/mol |
| Molecular Formula | C55H72N6O10S2 |
| Exact Mass | 1040.475135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ExrpvDrlbf7 |
|---|---|
| Name | #21A;N-(9-FLUORENYLMETHYLOXYCARBONYL)-L-METHIONYLGLYCYL-L-LEUCYL-L-PROLYL-S-[E,E-8-O-(2-N-METHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLES |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H72N6O10S2 |
| InChI | InChI=1S/C55H72N6O10S2/c1-35(2)30-46(58-49(62)31-57-50(63)45(26-28-72-7)60-55(68)71-33-43-40-20-10-8-18-38(40)39-19-9-11-21-41(39)43)52(65)61-27-15-24-48(61)51(64)59-47(54(67)69-6)34-73-29-25-36(3)16-14-17-37(4)32-70-53(66)42-22-12-13-23-44(42)56-5/h8-13,17-23,25,35,43,45-48,56H,14-16,24,26-34H2,1-7H3,(H,57,63)(H,58,62)(H,59,64)(H,60,68)/b36-25+,37-17+/t45-,46+,47+,48+/m0/s1 |
| InChIKey | JDFZDIAGQABDDE-NFUZMAPOSA-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 | 1041.331 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI23408 |