![(2S)-(2-[11-[3-(2,2-DIPHENYLETHYLCARBAMOYL)-(E)-ACRYLOYLAMINO]-UNDECANOYLAMINO]-ACETYLAMINO)-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER](/api/spectrum/HV6blsGoEXd/structure.png?h=300&w=458 "(2S)-(2-[11-[3-(2,2-DIPHENYLETHYLCARBAMOYL)-(E)-ACRYLOYLAMINO]-UNDECANOYLAMINO]-ACETYLAMINO)-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER")
| SpectraBase Compound ID | 6b9MMrRdBGu |
|---|---|
| InChI | InChI=1S/C51H64N4O6/c1-39(2)35-46(51(60)61-38-45(42-27-17-11-18-28-42)43-29-19-12-20-30-43)55-50(59)37-54-47(56)31-21-7-5-3-4-6-8-22-34-52-48(57)32-33-49(58)53-36-44(40-23-13-9-14-24-40)41-25-15-10-16-26-41/h9-20,23-30,32-33,39,44-46H,3-8,21-22,31,34-38H2,1-2H3,(H,52,57)(H,53,58)(H,54,56)(H,55,59)/b33-32+/t46-/m0/s1 |
| InChIKey | ZPAOKKFABPTHSI-CDFZQNSSSA-N |
| Mol Weight | 829.1 g/mol |
| Molecular Formula | C51H64N4O6 |
| Exact Mass | 828.482586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HV6blsGoEXd |
|---|---|
| Name | (2S)-(2-[11-[3-(2,2-DIPHENYLETHYLCARBAMOYL)-(E)-ACRYLOYLAMINO]-UNDECANOYLAMINO]-ACETYLAMINO)-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER |
| Compound Number | E-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H64N4O6 |
| InChI | InChI=1S/C51H64N4O6/c1-39(2)35-46(51(60)61-38-45(42-27-17-11-18-28-42)43-29-19-12-20-30-43)55-50(59)37-54-47(56)31-21-7-5-3-4-6-8-22-34-52-48(57)32-33-49(58)53-36-44(40-23-13-9-14-24-40)41-25-15-10-16-26-41/h9-20,23-30,32-33,39,44-46H,3-8,21-22,31,34-38H2,1-2H3,(H,52,57)(H,53,58)(H,54,56)(H,55,59)/b33-32+/t46-/m0/s1 |
| InChIKey | ZPAOKKFABPTHSI-CDFZQNSSSA-N |
| Literature Reference Author | G.BOTTARI,D.A.LEIGH,E.M.PEREZ |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,13360(2003) |
| Literature Reference DOI | 10.1021/ja036665t |
| Molecular Weight | 829.092 g/mol |
| Sample ID | 35199 |
| Solvent | CDCl3 |