![(2S)-[2-(11-TERT.-BUTOXYCARBONYLAMINO-UNDECANOYLAMINO)-ACETYLAMINO]-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER](/api/spectrum/6ZHXK04KL5g/structure.png?h=300&w=458 "(2S)-[2-(11-TERT.-BUTOXYCARBONYLAMINO-UNDECANOYLAMINO)-ACETYLAMINO]-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER")
| SpectraBase Compound ID | LLRf72vKLsN |
|---|---|
| InChI | InChI=1S/C38H57N3O6/c1-29(2)26-33(36(44)46-28-32(30-20-14-12-15-21-30)31-22-16-13-17-23-31)41-35(43)27-40-34(42)24-18-10-8-6-7-9-11-19-25-39-37(45)47-38(3,4)5/h12-17,20-23,29,32-33H,6-11,18-19,24-28H2,1-5H3,(H,39,45)(H,40,42)(H,41,43)/t33-/m0/s1 |
| InChIKey | VAEQBRQMSAELIO-XIFFEERXSA-N |
| Mol Weight | 651.9 g/mol |
| Molecular Formula | C38H57N3O6 |
| Exact Mass | 651.424737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZHXK04KL5g |
|---|---|
| Name | (2S)-[2-(11-TERT.-BUTOXYCARBONYLAMINO-UNDECANOYLAMINO)-ACETYLAMINO]-4-METHYL-PENTANOIC-ACID-2,2-DIPHENYL-ETHYLESTER |
| Compound Number | S4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H57N3O6 |
| InChI | InChI=1S/C38H57N3O6/c1-29(2)26-33(36(44)46-28-32(30-20-14-12-15-21-30)31-22-16-13-17-23-31)41-35(43)27-40-34(42)24-18-10-8-6-7-9-11-19-25-39-37(45)47-38(3,4)5/h12-17,20-23,29,32-33H,6-11,18-19,24-28H2,1-5H3,(H,39,45)(H,40,42)(H,41,43)/t33-/m0/s1 |
| InChIKey | VAEQBRQMSAELIO-XIFFEERXSA-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 | 651.887 g/mol |
| Sample ID | 35196 |
| Solvent | CDCl3 |